(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine

C18H21NO2 — CID 58035512

IUPAC(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ccc(OC)c(CN[C@H]2CC2c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-20-15-8-9-18(21-2)14(10-15)12-19-17-11-16(17)13-6-4-3-5-7-13/h3-10,16-17,19H,11-12H2,1-2H3/t16?,17-/m0/s1
InChIKeyOUQLJDFSGAPTQF-DJNXLDHESA-N
MW283.37 g/mol
LogP3.35
Rot. Bonds6

About (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 58035512) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID58035512
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ccc(OC)c(CN[C@H]2CC2c2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-20-15-8-9-18(21-2)14(10-15)12-19-17-11-16(17)13-6-4-3-5-7-13/h3-10,16-17,19H,11-12H2,1-2H3/t16?,17-/m0/s1
InChIKeyOUQLJDFSGAPTQF-DJNXLDHESA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 66629953
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 66629200
trans-(1R,2S)-N-[[1-(2,5-dimethoxyphenyl)triazol-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 164622010
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 66630014
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine (CID 58035512) is (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine is COc1ccc(OC)c(CN[C@H]2CC2c2ccccc2)c1.
What is the InChIKey of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is OUQLJDFSGAPTQF-DJNXLDHESA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-15-8-9-18(21-2)14(10-15)12-19-17-11-16(17)13-6-4-3-5-7-13/h3-10,16-17,19H,11-12H2,1-2H3/t16?,17-/m0/s1.
What are the key properties of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).