1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine

C19H23NO — CID 105051796

IUPAC1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C19H23NO/c1-2-18(14-7-4-3-5-8-14)19(20)15-9-6-10-17(13-15)21-16-11-12-16/h3-10,13,16,18-19H,2,11-12,20H2,1H3
InChIKeyCPPKRMJFKPBQMT-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.42
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine

1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine (PubChem CID 105051796) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
PubChem CID105051796
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C19H23NO/c1-2-18(14-7-4-3-5-8-14)19(20)15-9-6-10-17(13-15)21-16-11-12-16/h3-10,13,16,18-19H,2,11-12,20H2,1H3
InChIKeyCPPKRMJFKPBQMT-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051483
1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
CID 114522245
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
[1-(3-cyclopropyloxyphenyl)-4-methylpentyl]hydrazine
CID 105207737
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
3-(3-cyclopropyloxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244252

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine (CID 105051796) is 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine is CCC(c1ccccc1)C(N)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
The InChIKey is CPPKRMJFKPBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-18(14-7-4-3-5-8-14)19(20)15-9-6-10-17(13-15)21-16-11-12-16/h3-10,13,16,18-19H,2,11-12,20H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 105051796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).