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

C16H17NO — CID 51888240

IUPACcis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c17-16-10-15(16)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,17H2/t15-,16-/m1/s1
InChIKeyWVKRVNMRNFXMKX-HZPDHXFCSA-N
MW239.32 g/mol
LogP3.08
Rot. Bonds4

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

cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (PubChem CID 51888240) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
PubChem CID51888240
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Namecis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c17-16-10-15(16)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,17H2/t15-,16-/m1/s1
InChIKeyWVKRVNMRNFXMKX-HZPDHXFCSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658
1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexane-1,4-diamine
CID 135367914
1-[(1S)-2-nitrocyclopropyl]-4-phenylmethoxybenzene
CID 134350485
3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 90395406
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
1-[4-[[4-[(1R,2S)-2-aminocyclopropyl]phenyl]methoxy]phenyl]cyclopropane-1-carbaldehyde
CID 155266576
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine (CID 51888240) is cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is N[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
The InChIKey is WVKRVNMRNFXMKX-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H17NO/c17-16-10-15(16)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,17H2/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine?
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 51888240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).