1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine

C19H25NO — CID 10802941

IUPAC1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CCCc2ccccc2)ccc1CC(C)N
InChIInChI=1S/C19H25NO/c1-15(20)13-18-12-11-17(14-19(18)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3
InChIKeyZGGKVIHEOVKYJK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.76
Rot. Bonds7

About 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine

1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (PubChem CID 10802941) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
PubChem CID10802941
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CCCc2ccccc2)ccc1CC(C)N
InChIInChI=1S/C19H25NO/c1-15(20)13-18-12-11-17(14-19(18)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3
InChIKeyZGGKVIHEOVKYJK-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 101064795
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1-(4-ethylsulfanyl-2-methoxyphenyl)propan-2-amine
CID 165123611

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (CID 10802941) is 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is COc1cc(CCCc2ccccc2)ccc1CC(C)N.
What is the InChIKey of 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The InChIKey is ZGGKVIHEOVKYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(20)13-18-12-11-17(14-19(18)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3.
What are the key properties of 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is sourced from PubChem (CID 10802941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).