trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine

C13H19N — CID 178202513

IUPACtrans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
SMILESCC(C)C[C@]1(N)C[C@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)8-13(14)9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3/t12-,13-/m0/s1
InChIKeyLGXJMNAMWSFAQV-STQMWFEESA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds3

About trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine

trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine (PubChem CID 178202513) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
PubChem CID178202513
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Nametrans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
SMILESCC(C)C[C@]1(N)C[C@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)8-13(14)9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3/t12-,13-/m0/s1
InChIKeyLGXJMNAMWSFAQV-STQMWFEESA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 84662303
2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine
CID 84675560
1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine
CID 84690014
trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
CID 90206365
2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
CID 90197722
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
[(1R)-1-[[(2S)-1-amino-2-phenylcyclopropanecarbonyl]amino]-3-methylbutyl]boronic acid
CID 163814511
4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
CID 79311894
2-(3-fluorophenyl)-1-propylcyclopropan-1-amine
CID 84665026
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
1-ethyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 84655385
2-(4-bromophenyl)-1-ethylcyclopropan-1-amine
CID 84701862

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine (CID 178202513) is trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine is CC(C)C[C@]1(N)C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
The InChIKey is LGXJMNAMWSFAQV-STQMWFEESA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)8-13(14)9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine?
trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 178202513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).