2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine

C18H31N — CID 43767516

IUPAC2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
SMILESCCCCC(CC)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C18H31N/c1-5-7-11-16(6-2)14-19-18(15(3)4)17-12-9-8-10-13-17/h8-10,12-13,15-16,18-19H,5-7,11,14H2,1-4H3
InChIKeyQAJPRPRXMOZSNO-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.19
Rot. Bonds9

About 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine

2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine (PubChem CID 43767516) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
PubChem CID43767516
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
SMILESCCCCC(CC)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C18H31N/c1-5-7-11-16(6-2)14-19-18(15(3)4)17-12-9-8-10-13-17/h8-10,12-13,15-16,18-19H,5-7,11,14H2,1-4H3
InChIKeyQAJPRPRXMOZSNO-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-diethyl-2-methyl-1-phenyloctan-1-amine
CID 104845466
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
CID 63420427
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
CID 81374760
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]hexan-1-amine
CID 81407759
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine (CID 43767516) is 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine is CCCCC(CC)CNC(c1ccccc1)C(C)C.
What is the InChIKey of 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine?
The InChIKey is QAJPRPRXMOZSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-7-11-16(6-2)14-19-18(15(3)4)17-12-9-8-10-13-17/h8-10,12-13,15-16,18-19H,5-7,11,14H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine?
2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine is sourced from PubChem (CID 43767516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).