trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride

C10H14ClN — CID 118483877

IUPACtrans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESC[C@@]1(N)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyATFVTRDQCBBLIQ-BAUSSPIASA-N
MW183.68 g/mol
LogP2.31
Rot. Bonds1

About trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride

trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 118483877) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID118483877
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Nametrans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESC[C@@]1(N)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyATFVTRDQCBBLIQ-BAUSSPIASA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483891
trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483746
2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
CID 90197722
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
CID 90206365
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 178202513
1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 84662303
(2-methyl-2-nitrosocyclopropyl)benzene
CID 88564269
1-amino-2-phenylcyclopropane-1-carbonitrile
CID 70611404
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
(2,2-dimethyl-3-methylidenecyclobutyl)benzene
CID 11095097

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride (CID 118483877) is trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride is C[C@@]1(N)C[C@H]1c1ccccc1.Cl.
What is the InChIKey of trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is ATFVTRDQCBBLIQ-BAUSSPIASA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-10(11)7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride?
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118483877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).