cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

C18H21NO — CID 90212958

IUPACcis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-2-18(19)12-17(18)15-8-10-16(11-9-15)20-13-14-6-4-3-5-7-14/h3-11,17H,2,12-13,19H2,1H3/t17-,18+/m0/s1
InChIKeyOXKLPQUZMXZNKS-ZWKOTPCHSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds5

About cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine

cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 90212958) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID90212958
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Namecis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-2-18(19)12-17(18)15-8-10-16(11-9-15)20-13-14-6-4-3-5-7-14/h3-11,17H,2,12-13,19H2,1H3/t17-,18+/m0/s1
InChIKeyOXKLPQUZMXZNKS-ZWKOTPCHSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
CID 81416557
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
4-N-methyl-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexane-1,4-diamine
CID 137462773
4-phenylmethoxyaniline
CID 159966727
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 151797160

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (CID 90212958) is cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is CC[C@@]1(N)C[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is OXKLPQUZMXZNKS-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-18(19)12-17(18)15-8-10-16(11-9-15)20-13-14-6-4-3-5-7-14/h3-11,17H,2,12-13,19H2,1H3/t17-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 90212958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).