1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine

C19H23NO — CID 105051483

IUPAC1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1ccc(OC2CC2)cc1
InChIInChI=1S/C19H23NO/c1-2-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)21-17-12-13-17/h3-11,17-19H,2,12-13,20H2,1H3
InChIKeySIVFZNJGMORZJA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.42
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine

1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine (PubChem CID 105051483) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
PubChem CID105051483
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(N)c1ccc(OC2CC2)cc1
InChIInChI=1S/C19H23NO/c1-2-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)21-17-12-13-17/h3-11,17-19H,2,12-13,20H2,1H3
InChIKeySIVFZNJGMORZJA-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-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine
CID 114519844
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
CID 115812788
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-2-phenylsulfanylethanamine
CID 114519481
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 64737465
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
1-(3-bromo-4-ethoxyphenyl)-2-phenylbutan-1-amine
CID 104657253
(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
CID 105051512
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine (CID 105051483) is 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine is CCC(c1ccccc1)C(N)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
The InChIKey is SIVFZNJGMORZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-18(14-6-4-3-5-7-14)19(20)15-8-10-16(11-9-15)21-17-12-13-17/h3-11,17-19H,2,12-13,20H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine?
1-(4-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-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 105051483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).