N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine

C19H23NO — CID 114522593

IUPACN-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cccc(OC3CC3)c2)c1
InChIInChI=1S/C19H23NO/c1-14(2)20-13-15-5-3-6-16(11-15)17-7-4-8-19(12-17)21-18-9-10-18/h3-8,11-12,14,18,20H,9-10,13H2,1-2H3
InChIKeyOYANXXBCJZHQLW-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.39
Rot. Bonds6

About N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine

N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine (PubChem CID 114522593) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
PubChem CID114522593
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cccc(OC3CC3)c2)c1
InChIInChI=1S/C19H23NO/c1-14(2)20-13-15-5-3-6-16(11-15)17-7-4-8-19(12-17)21-18-9-10-18/h3-8,11-12,14,18,20H,9-10,13H2,1-2H3
InChIKeyOYANXXBCJZHQLW-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid
CID 120510137
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine
CID 114621097
2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
CID 111421775
N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39446655
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
5-[(3-cyclopentyloxyphenyl)methylamino]-4-methylpentan-2-ol
CID 111448819

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine (CID 114522593) is N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(-c2cccc(OC3CC3)c2)c1.
What is the InChIKey of N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is OYANXXBCJZHQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)20-13-15-5-3-6-16(11-15)17-7-4-8-19(12-17)21-18-9-10-18/h3-8,11-12,14,18,20H,9-10,13H2,1-2H3.
What are the key properties of N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine?
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114522593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).