N-[1-(3-methylphenyl)ethyl]hexan-1-amine

C15H25N — CID 43769677

IUPACN-[1-(3-methylphenyl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-4-5-6-7-11-16-14(3)15-10-8-9-13(2)12-15/h8-10,12,14,16H,4-7,11H2,1-3H3
InChIKeyWYOUUSXOQZWHAW-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.23
Rot. Bonds7

About N-[1-(3-methylphenyl)ethyl]hexan-1-amine

N-[1-(3-methylphenyl)ethyl]hexan-1-amine (PubChem CID 43769677) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]hexan-1-amine
PubChem CID43769677
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[1-(3-methylphenyl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-4-5-6-7-11-16-14(3)15-10-8-9-13(2)12-15/h8-10,12,14,16H,4-7,11H2,1-3H3
InChIKeyWYOUUSXOQZWHAW-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.23
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

5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
CID 115496246
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]hexan-1-amine?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]hexan-1-amine (CID 43769677) is N-[1-(3-methylphenyl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]hexan-1-amine?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]hexan-1-amine is CCCCCCNC(C)c1cccc(C)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]hexan-1-amine?
The InChIKey is WYOUUSXOQZWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-6-7-11-16-14(3)15-10-8-9-13(2)12-15/h8-10,12,14,16H,4-7,11H2,1-3H3.
What are the key properties of N-[1-(3-methylphenyl)ethyl]hexan-1-amine?
N-[1-(3-methylphenyl)ethyl]hexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethyl]hexan-1-amine is sourced from PubChem (CID 43769677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).