(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine

C15H23NO — CID 95449708

IUPAC(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
SMILESCOc1ccc(/C(=C/CCCN)C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)15(6-4-5-11-16)13-7-9-14(17-3)10-8-13/h6-10,12H,4-5,11,16H2,1-3H3/b15-6+
InChIKeyBVUDPEXPIFHTQF-GIDUJCDVSA-N
MW233.35 g/mol
LogP3.47
Rot. Bonds6

About (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine

(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine (PubChem CID 95449708) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
PubChem CID95449708
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine
SMILESCOc1ccc(/C(=C/CCCN)C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-12(2)15(6-4-5-11-16)13-7-9-14(17-3)10-8-13/h6-10,12H,4-5,11,16H2,1-3H3/b15-6+
InChIKeyBVUDPEXPIFHTQF-GIDUJCDVSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.47
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

(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
CID 95460067
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol
CID 11600957
(Z)-12,13-bis(4-methoxyphenyl)pentadec-11-enoic acid
CID 18955970
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
CID 163449176
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine?
The IUPAC name of (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine (CID 95449708) is (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine.
What is the SMILES notation for (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine?
The canonical SMILES for (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine is COc1ccc(/C(=C/CCCN)C(C)C)cc1.
What is the InChIKey of (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine?
The InChIKey is BVUDPEXPIFHTQF-GIDUJCDVSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)15(6-4-5-11-16)13-7-9-14(17-3)10-8-13/h6-10,12H,4-5,11,16H2,1-3H3/b15-6+.
What are the key properties of (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine?
(E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-methoxyphenyl)-6-methylhept-4-en-1-amine is sourced from PubChem (CID 95449708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).