N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine

C25H29N — CID 18333903

IUPACN-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
SMILESC=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N/c1-19(22-13-12-21-8-6-7-9-23(21)16-22)17-26(5)18-20-10-14-24(15-11-20)25(2,3)4/h6-16H,1,17-18H2,2-5H3
InChIKeyMXETVQURCXOKPQ-UHFFFAOYSA-N
MW343.51 g/mol
LogP6.28
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine

N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine (PubChem CID 18333903) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
PubChem CID18333903
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
SMILESC=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N/c1-19(22-13-12-21-8-6-7-9-23(21)16-22)17-26(5)18-20-10-14-24(15-11-20)25(2,3)4/h6-16H,1,17-18H2,2-5H3
InChIKeyMXETVQURCXOKPQ-UHFFFAOYSA-N
XLogP6.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)-N-methylprop-2-en-1-amine
CID 18333869
N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 139921620
3-[3-[(4-tert-butylphenyl)methyl-methylamino]prop-1-en-2-yl]benzonitrile
CID 18333905
N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine
CID 139821189
N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
CID 18333919
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 18333856
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 18509445
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone
CID 18333926
2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 114328072
N-(1-benzothiophen-2-ylmethyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 139618212
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine (CID 18333903) is N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine is C=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine?
The InChIKey is MXETVQURCXOKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-19(22-13-12-21-8-6-7-9-23(21)16-22)17-26(5)18-20-10-14-24(15-11-20)25(2,3)4/h6-16H,1,17-18H2,2-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine?
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine has a molecular weight of 343.51 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 18333903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).