1-(4-ethylphenyl)-3-methoxypentan-2-amine

C14H23NO — CID 116715207

IUPAC1-(4-ethylphenyl)-3-methoxypentan-2-amine
SMILESCCc1ccc(CC(N)C(CC)OC)cc1
InChIInChI=1S/C14H23NO/c1-4-11-6-8-12(9-7-11)10-13(15)14(5-2)16-3/h6-9,13-14H,4-5,10,15H2,1-3H3
InChIKeyYWELZSVCHHPBCE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.54
Rot. Bonds6

About 1-(4-ethylphenyl)-3-methoxypentan-2-amine

1-(4-ethylphenyl)-3-methoxypentan-2-amine (PubChem CID 116715207) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-methoxypentan-2-amine
PubChem CID116715207
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-ethylphenyl)-3-methoxypentan-2-amine
SMILESCCc1ccc(CC(N)C(CC)OC)cc1
InChIInChI=1S/C14H23NO/c1-4-11-6-8-12(9-7-11)10-13(15)14(5-2)16-3/h6-9,13-14H,4-5,10,15H2,1-3H3
InChIKeyYWELZSVCHHPBCE-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine
CID 116722006
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
CID 116715118
1-(4-bromophenyl)-3-ethoxypentan-2-amine
CID 116716310
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
CID 116715292
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
CID 116715037

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-3-methoxypentan-2-amine (CID 116715207) is 1-(4-ethylphenyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-3-methoxypentan-2-amine is CCc1ccc(CC(N)C(CC)OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-methoxypentan-2-amine?
The InChIKey is YWELZSVCHHPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11-6-8-12(9-7-11)10-13(15)14(5-2)16-3/h6-9,13-14H,4-5,10,15H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3-methoxypentan-2-amine?
1-(4-ethylphenyl)-3-methoxypentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).