(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine

C19H21NO — CID 114521682

IUPAC(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21NO/c20-18(19(11-12-19)15-6-2-1-3-7-15)14-5-4-8-17(13-14)21-16-9-10-16/h1-8,13,16,18H,9-12,20H2
InChIKeyBLRFLFXCTOISIM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.96
Rot. Bonds5

About (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine

(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine (PubChem CID 114521682) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
PubChem CID114521682
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21NO/c20-18(19(11-12-19)15-6-2-1-3-7-15)14-5-4-8-17(13-14)21-16-9-10-16/h1-8,13,16,18H,9-12,20H2
InChIKeyBLRFLFXCTOISIM-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-cyclopropyloxyphenyl)cyclopropyl]ethanamine
CID 117309977
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114521860
1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(4-cyclobutylphenyl)-(1-phenylcyclopropyl)methanamine
CID 116506095
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
CID 83045638

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine?
The IUPAC name of (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine (CID 114521682) is (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine is NC(c1cccc(OC2CC2)c1)C1(c2ccccc2)CC1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine?
The InChIKey is BLRFLFXCTOISIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c20-18(19(11-12-19)15-6-2-1-3-7-15)14-5-4-8-17(13-14)21-16-9-10-16/h1-8,13,16,18H,9-12,20H2.
What are the key properties of (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine?
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 114521682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).