N-[(2-methylphenyl)methyl]dodecan-1-amine

C20H35N — CID 60663920

IUPACN-[(2-methylphenyl)methyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNCc1ccccc1C
InChIInChI=1S/C20H35N/c1-3-4-5-6-7-8-9-10-11-14-17-21-18-20-16-13-12-15-19(20)2/h12-13,15-16,21H,3-11,14,17-18H2,1-2H3
InChIKeyKIYPYGJUDUOGLT-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.01
Rot. Bonds13

About N-[(2-methylphenyl)methyl]dodecan-1-amine

N-[(2-methylphenyl)methyl]dodecan-1-amine (PubChem CID 60663920) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]dodecan-1-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]dodecan-1-amine
PubChem CID60663920
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[(2-methylphenyl)methyl]dodecan-1-amine
SMILESCCCCCCCCCCCCNCc1ccccc1C
InChIInChI=1S/C20H35N/c1-3-4-5-6-7-8-9-10-11-14-17-21-18-20-16-13-12-15-19(20)2/h12-13,15-16,21H,3-11,14,17-18H2,1-2H3
InChIKeyKIYPYGJUDUOGLT-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
N',N'-dibutyl-N-[(2-methylphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214735
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
5-[(2-methylphenyl)methylamino]pentanenitrile
CID 60695206
3-ethyl-N-[(2-methylphenyl)methyl]heptan-1-amine
CID 142055976
N-[(2-ethenylphenyl)methyl]dodecan-1-amine
CID 19833787
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]dodecan-1-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]dodecan-1-amine (CID 60663920) is N-[(2-methylphenyl)methyl]dodecan-1-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]dodecan-1-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]dodecan-1-amine is CCCCCCCCCCCCNCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]dodecan-1-amine?
The InChIKey is KIYPYGJUDUOGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-3-4-5-6-7-8-9-10-11-14-17-21-18-20-16-13-12-15-19(20)2/h12-13,15-16,21H,3-11,14,17-18H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]dodecan-1-amine?
N-[(2-methylphenyl)methyl]dodecan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 6.01, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]dodecan-1-amine is sourced from PubChem (CID 60663920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).