N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine

C19H23NO — CID 62708916

IUPACN-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14(2)20-13-16-12-19(16)15-7-6-10-18(11-15)21-17-8-4-3-5-9-17/h3-11,14,16,19-20H,12-13H2,1-2H3
InChIKeySGOUYGCPUWRLLG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.58
Rot. Bonds6

About N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine

N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 62708916) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID62708916
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14(2)20-13-16-12-19(16)15-7-6-10-18(11-15)21-17-8-4-3-5-9-17/h3-11,14,16,19-20H,12-13H2,1-2H3
InChIKeySGOUYGCPUWRLLG-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-naphthalen-2-ylcyclopropyl)methyl]propan-2-amine
CID 62708560
[2-(3-phenoxyphenyl)cyclopropyl]methanamine
CID 62708512
1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine
CID 22111156
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880708
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-2-amine
CID 63208003
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 62708561
3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
CID 59930174
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine (CID 62708916) is N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is SGOUYGCPUWRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)20-13-16-12-19(16)15-7-6-10-18(11-15)21-17-8-4-3-5-9-17/h3-11,14,16,19-20H,12-13H2,1-2H3.
What are the key properties of N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine?
N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62708916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).