(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine

C19H23NO — CID 58035544

IUPAC(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C
InChIInChI=1S/C19H23NO/c1-13-10-19(21-3)14(2)9-16(13)12-20-18-11-17(18)15-7-5-4-6-8-15/h4-10,17-18,20H,11-12H2,1-3H3/t17?,18-/m0/s1
InChIKeyROWMZQIEORWNAH-ZVAWYAOSSA-N
MW281.40 g/mol
LogP3.96
Rot. Bonds5

About (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 58035544) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID58035544
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C
InChIInChI=1S/C19H23NO/c1-13-10-19(21-3)14(2)9-16(13)12-20-18-11-17(18)15-7-5-4-6-8-15/h4-10,17-18,20H,11-12H2,1-3H3/t17?,18-/m0/s1
InChIKeyROWMZQIEORWNAH-ZVAWYAOSSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine (CID 58035544) is (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine is COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C.
What is the InChIKey of (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is ROWMZQIEORWNAH-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-10-19(21-3)14(2)9-16(13)12-20-18-11-17(18)15-7-5-4-6-8-15/h4-10,17-18,20H,11-12H2,1-3H3/t17?,18-/m0/s1.
What are the key properties of (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 281.40 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 (1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).