N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine

C18H31N — CID 55196404

IUPACN-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCc1ccccc1CC(CNC(C)(C)C)CC(C)C
InChIInChI=1S/C18H31N/c1-14(2)11-16(13-19-18(4,5)6)12-17-10-8-7-9-15(17)3/h7-10,14,16,19H,11-13H2,1-6H3
InChIKeyYAWOQBYTDUWAPX-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.59
Rot. Bonds6

About N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine

N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine (PubChem CID 55196404) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
PubChem CID55196404
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCc1ccccc1CC(CNC(C)(C)C)CC(C)C
InChIInChI=1S/C18H31N/c1-14(2)11-16(13-19-18(4,5)6)12-17-10-8-7-9-15(17)3/h7-10,14,16,19H,11-13H2,1-6H3
InChIKeyYAWOQBYTDUWAPX-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334
N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984387
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
CID 63497814
N-tert-butyl-2-[(2-methylphenyl)methyl]-4-propoxybutan-1-amine
CID 106456722
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497978
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine (CID 55196404) is N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine is Cc1ccccc1CC(CNC(C)(C)C)CC(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The InChIKey is YAWOQBYTDUWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-14(2)11-16(13-19-18(4,5)6)12-17-10-8-7-9-15(17)3/h7-10,14,16,19H,11-13H2,1-6H3.
What are the key properties of N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 55196404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).