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

C15H25N — CID 62119474

IUPACN-[1-(3-methylphenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-5-8-15(6-2)16-13(4)14-10-7-9-12(3)11-14/h7,9-11,13,15-16H,5-6,8H2,1-4H3
InChIKeyYFASUDVUAGYYRL-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.22
Rot. Bonds6

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

N-[1-(3-methylphenyl)ethyl]hexan-3-amine (PubChem CID 62119474) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]hexan-3-amine
PubChem CID62119474
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[1-(3-methylphenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-5-8-15(6-2)16-13(4)14-10-7-9-12(3)11-14/h7,9-11,13,15-16H,5-6,8H2,1-4H3
InChIKeyYFASUDVUAGYYRL-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
CID 81382746
tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
CID 107251337
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[1-(3-methylphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115663825
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]hexan-3-amine (CID 62119474) is N-[1-(3-methylphenyl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]hexan-3-amine is CCCC(CC)NC(C)c1cccc(C)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]hexan-3-amine?
The InChIKey is YFASUDVUAGYYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-8-15(6-2)16-13(4)14-10-7-9-12(3)11-14/h7,9-11,13,15-16H,5-6,8H2,1-4H3.
What are the key properties of N-[1-(3-methylphenyl)ethyl]hexan-3-amine?
N-[1-(3-methylphenyl)ethyl]hexan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 4.22, 6 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-3-amine is sourced from PubChem (CID 62119474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).