7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine

C17H29N — CID 28527730

IUPAC7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
SMILESCc1ccccc1CNCCCCCCC(C)C
InChIInChI=1S/C17H29N/c1-15(2)10-6-4-5-9-13-18-14-17-12-8-7-11-16(17)3/h7-8,11-12,15,18H,4-6,9-10,13-14H2,1-3H3
InChIKeyJWHLADGYDIZUBP-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.69
Rot. Bonds9

About 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine

7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine (PubChem CID 28527730) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
PubChem CID28527730
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
SMILESCc1ccccc1CNCCCCCCC(C)C
InChIInChI=1S/C17H29N/c1-15(2)10-6-4-5-9-13-18-14-17-12-8-7-11-16(17)3/h7-8,11-12,15,18H,4-6,9-10,13-14H2,1-3H3
InChIKeyJWHLADGYDIZUBP-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.69
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-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
5-[(2-methylphenyl)methylamino]pentanenitrile
CID 60695206
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine?
The IUPAC name of 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine (CID 28527730) is 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine.
What is the SMILES notation for 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine?
The canonical SMILES for 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine is Cc1ccccc1CNCCCCCCC(C)C.
What is the InChIKey of 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine?
The InChIKey is JWHLADGYDIZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-15(2)10-6-4-5-9-13-18-14-17-12-8-7-11-16(17)3/h7-8,11-12,15,18H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine?
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine is sourced from PubChem (CID 28527730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).