N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C21H25N — CID 146303538

IUPACN-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1(C)Cc2ccc(NC3CCCc4ccccc43)cc2C1
InChIInChI=1S/C21H25N/c1-21(2)13-16-10-11-18(12-17(16)14-21)22-20-9-5-7-15-6-3-4-8-19(15)20/h3-4,6,8,10-12,20,22H,5,7,9,13-14H2,1-2H3
InChIKeyBHZBXWYQZHCARN-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.30
Rot. Bonds2

About N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 146303538) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID146303538
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1(C)Cc2ccc(NC3CCCc4ccccc43)cc2C1
InChIInChI=1S/C21H25N/c1-21(2)13-16-10-11-18(12-17(16)14-21)22-20-9-5-7-15-6-3-4-8-19(15)20/h3-4,6,8,10-12,20,22H,5,7,9,13-14H2,1-2H3
InChIKeyBHZBXWYQZHCARN-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
3-N,3-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 115375952
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43105442
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
CID 63451260
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
2-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzonitrile
CID 107276271
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418118
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 146303538) is N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1(C)Cc2ccc(NC3CCCc4ccccc43)cc2C1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BHZBXWYQZHCARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-21(2)13-16-10-11-18(12-17(16)14-21)22-20-9-5-7-15-6-3-4-8-19(15)20/h3-4,6,8,10-12,20,22H,5,7,9,13-14H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 146303538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).