2-(2-methylpentoxy)-1-phenylethanamine

C14H23NO — CID 103283488

IUPAC2-(2-methylpentoxy)-1-phenylethanamine
SMILESCCCC(C)COCC(N)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-7-12(2)10-16-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,15H2,1-2H3
InChIKeyQKLMOGKNENNOHA-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-methylpentoxy)-1-phenylethanamine

2-(2-methylpentoxy)-1-phenylethanamine (PubChem CID 103283488) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-methylpentoxy)-1-phenylethanamine
PubChem CID103283488
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2-methylpentoxy)-1-phenylethanamine
SMILESCCCC(C)COCC(N)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-7-12(2)10-16-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,15H2,1-2H3
InChIKeyQKLMOGKNENNOHA-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103283433
1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
CID 103283486
N-methyl-2-(2-methylpentoxy)-1-phenylethanamine
CID 103283317
3-(2-methylpentoxy)-1-phenylpropan-1-ol
CID 103284714
2-pentoxy-1-phenylethanamine
CID 43275081
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
3-methyl-1-phenylundecan-1-amine
CID 174237329
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
4-methyl-1,1-diphenylheptan-2-amine
CID 63412141
2-(2-methylpentoxy)-1-phenylethanone
CID 103284390
(1S)-1-phenyl-2-prop-2-ynoxyethanamine
CID 146597037
4-butoxy-1-phenylbutan-1-amine
CID 61483795

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-1-phenylethanamine?
The IUPAC name of 2-(2-methylpentoxy)-1-phenylethanamine (CID 103283488) is 2-(2-methylpentoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(2-methylpentoxy)-1-phenylethanamine?
The canonical SMILES for 2-(2-methylpentoxy)-1-phenylethanamine is CCCC(C)COCC(N)c1ccccc1.
What is the InChIKey of 2-(2-methylpentoxy)-1-phenylethanamine?
The InChIKey is QKLMOGKNENNOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-7-12(2)10-16-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,15H2,1-2H3.
What are the key properties of 2-(2-methylpentoxy)-1-phenylethanamine?
2-(2-methylpentoxy)-1-phenylethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-1-phenylethanamine is sourced from PubChem (CID 103283488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).