1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine

C18H21NO — CID 114521595

IUPAC1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H21NO/c19-18(12-9-14-5-2-1-3-6-14)15-7-4-8-17(13-15)20-16-10-11-16/h1-8,13,16,18H,9-12,19H2
InChIKeyPTHHOEYEUNUFGE-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine

1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine (PubChem CID 114521595) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
PubChem CID114521595
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H21NO/c19-18(12-9-14-5-2-1-3-6-14)15-7-4-8-17(13-15)20-16-10-11-16/h1-8,13,16,18H,9-12,19H2
InChIKeyPTHHOEYEUNUFGE-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
3-(3-cyclopropyloxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 114522988
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
4-amino-4-[3-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447899
(3-cyclopropyloxyphenyl)-(1-phenylcyclopropyl)methanamine
CID 114521682
2-amino-2-[3-(thian-4-yloxy)phenyl]ethanol
CID 115005306
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine (CID 114521595) is 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine?
The InChIKey is PTHHOEYEUNUFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-18(12-9-14-5-2-1-3-6-14)15-7-4-8-17(13-15)20-16-10-11-16/h1-8,13,16,18H,9-12,19H2.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine?
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 114521595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).