2-(4-methoxyphenyl)heptan-2-amine

C14H23NO — CID 62621826

IUPAC2-(4-methoxyphenyl)heptan-2-amine
SMILESCCCCCC(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-11-14(2,15)12-7-9-13(16-3)10-8-12/h7-10H,4-6,11,15H2,1-3H3
InChIKeyMIZZECWJVNAPFN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-methoxyphenyl)heptan-2-amine

2-(4-methoxyphenyl)heptan-2-amine (PubChem CID 62621826) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)heptan-2-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)heptan-2-amine
PubChem CID62621826
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-methoxyphenyl)heptan-2-amine
SMILESCCCCCC(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-11-14(2,15)12-7-9-13(16-3)10-8-12/h7-10H,4-6,11,15H2,1-3H3
InChIKeyMIZZECWJVNAPFN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
2-phenyldecan-2-amine
CID 63408050
2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
2-phenylicosan-2-amine;hydrochloride
CID 173065845
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
(2S)-2-phenylhexan-2-amine
CID 10889241
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
1-methoxy-4-tetradecoxybenzene
CID 91712423
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)heptan-2-amine?
The IUPAC name of 2-(4-methoxyphenyl)heptan-2-amine (CID 62621826) is 2-(4-methoxyphenyl)heptan-2-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)heptan-2-amine?
The canonical SMILES for 2-(4-methoxyphenyl)heptan-2-amine is CCCCCC(C)(N)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)heptan-2-amine?
The InChIKey is MIZZECWJVNAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-11-14(2,15)12-7-9-13(16-3)10-8-12/h7-10H,4-6,11,15H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)heptan-2-amine?
2-(4-methoxyphenyl)heptan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)heptan-2-amine is sourced from PubChem (CID 62621826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).