N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene

C37H35N — CID 144729773

IUPACN-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene
SMILESCN(c1ccc(-c2ccccc2C(C)(C)C)cc1)c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C27H27N.C10H8/c1-27(2,3)26-12-8-7-11-25(26)21-14-16-23(17-15-21)28(4)24-18-13-20-9-5-6-10-22(20)19-24;1-2-6-10-8-4-3-7-9(10)5-1/h5-19H,1-4H3;1-8H
InChIKeyBNVOXANQPVDVCV-UHFFFAOYSA-N
MW493.69 g/mol
LogP10.41
Rot. Bonds3

About N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene

N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene (PubChem CID 144729773) has the molecular formula C37H35N and a molecular weight of 493.69 g/mol. Its IUPAC name is N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene.

Molecular Properties

Compound NameN-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene
PubChem CID144729773
Molecular FormulaC37H35N
Molecular Weight493.69 g/mol
Exact Mass493.28
IUPAC NameN-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene
SMILESCN(c1ccc(-c2ccccc2C(C)(C)C)cc1)c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C27H27N.C10H8/c1-27(2,3)26-12-8-7-11-25(26)21-14-16-23(17-15-21)28(4)24-18-13-20-9-5-6-10-22(20)19-24;1-2-6-10-8-4-3-7-9(10)5-1/h5-19H,1-4H3;1-8H
InChIKeyBNVOXANQPVDVCV-UHFFFAOYSA-N
XLogP10.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.69
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-methyl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 143983755
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
N-methyl-8-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 163926030
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874
1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine;1-N-methyl-1-N-naphthalen-2-yl-2-N,2-N-diphenylbenzene-1,2-diamine
CID 158025779
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene?
The IUPAC name of N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene (CID 144729773) is N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene.
What is the SMILES notation for N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene?
The canonical SMILES for N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene is CN(c1ccc(-c2ccccc2C(C)(C)C)cc1)c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene?
The InChIKey is BNVOXANQPVDVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N.C10H8/c1-27(2,3)26-12-8-7-11-25(26)21-14-16-23(17-15-21)28(4)24-18-13-20-9-5-6-10-22(20)19-24;1-2-6-10-8-4-3-7-9(10)5-1/h5-19H,1-4H3;1-8H.
What are the key properties of N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene?
N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene has a molecular weight of 493.69 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene is sourced from PubChem (CID 144729773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).