N-methyl-1-(2-methylphenyl)octan-3-amine

C16H27N — CID 105129664

IUPACN-methyl-1-(2-methylphenyl)octan-3-amine
SMILESCCCCCC(CCc1ccccc1C)NC
InChIInChI=1S/C16H27N/c1-4-5-6-11-16(17-3)13-12-15-10-8-7-9-14(15)2/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKeyOCXRAUUTDAPHBM-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.10
Rot. Bonds8

About N-methyl-1-(2-methylphenyl)octan-3-amine

N-methyl-1-(2-methylphenyl)octan-3-amine (PubChem CID 105129664) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)octan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)octan-3-amine
PubChem CID105129664
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-methyl-1-(2-methylphenyl)octan-3-amine
SMILESCCCCCC(CCc1ccccc1C)NC
InChIInChI=1S/C16H27N/c1-4-5-6-11-16(17-3)13-12-15-10-8-7-9-14(15)2/h7-10,16-17H,4-6,11-13H2,1-3H3
InChIKeyOCXRAUUTDAPHBM-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.10
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-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
5-ethyl-N-methyl-1-(2-methylphenyl)nonan-3-amine
CID 105103019
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
CID 105140044
1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105165085
1-(2-methylphenyl)decan-3-ol
CID 105085012
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
1-methyl-2-pentylbenzene
CID 524553
N-ethyl-1-(2-methylphenyl)decan-2-amine
CID 63417244
1-(2-methylphenyl)heptan-3-amine
CID 105125604
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 62367103

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)octan-3-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)octan-3-amine (CID 105129664) is N-methyl-1-(2-methylphenyl)octan-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)octan-3-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)octan-3-amine is CCCCCC(CCc1ccccc1C)NC.
What is the InChIKey of N-methyl-1-(2-methylphenyl)octan-3-amine?
The InChIKey is OCXRAUUTDAPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-5-6-11-16(17-3)13-12-15-10-8-7-9-14(15)2/h7-10,16-17H,4-6,11-13H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)octan-3-amine?
N-methyl-1-(2-methylphenyl)octan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)octan-3-amine is sourced from PubChem (CID 105129664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).