trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine

C19H23NO2 — CID 100672310

IUPACtrans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine
SMILESCOc1ccc(CN(C)[C@H]2C[C@@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C19H23NO2/c1-20(18-12-17(18)14-7-5-4-6-8-14)13-15-9-10-16(21-2)11-19(15)22-3/h4-11,17-18H,12-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyKIQHISXRKJPWKZ-MSOLQXFVSA-N
MW297.40 g/mol
LogP3.69
Rot. Bonds6

About trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine

trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine (PubChem CID 100672310) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine
PubChem CID100672310
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nametrans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine
SMILESCOc1ccc(CN(C)[C@H]2C[C@@H]2c2ccccc2)c(OC)c1
InChIInChI=1S/C19H23NO2/c1-20(18-12-17(18)14-7-5-4-6-8-14)13-15-9-10-16(21-2)11-19(15)22-3/h4-11,17-18H,12-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyKIQHISXRKJPWKZ-MSOLQXFVSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine
CID 124861935
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 58035512
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
N-[(2,4-dimethoxyphenyl)methyl]-N-methylquinolin-2-amine
CID 175769838
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558308
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine (CID 100672310) is trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine is COc1ccc(CN(C)[C@H]2C[C@@H]2c2ccccc2)c(OC)c1.
What is the InChIKey of trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine?
The InChIKey is KIQHISXRKJPWKZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(18-12-17(18)14-7-5-4-6-8-14)13-15-9-10-16(21-2)11-19(15)22-3/h4-11,17-18H,12-13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine?
trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 100672310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).