trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine

C12H17N — CID 90206365

IUPACtrans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
SMILESCC(C)[C@@]1(N)C[C@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyDBOYOHXQLBCZAO-RYUDHWBXSA-N
MW175.28 g/mol
LogP2.53
Rot. Bonds2

About trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine

trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine (PubChem CID 90206365) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
PubChem CID90206365
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Nametrans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
SMILESCC(C)[C@@]1(N)C[C@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyDBOYOHXQLBCZAO-RYUDHWBXSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
CID 90197722
2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine
CID 84677435
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 84662303
trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 178202513
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid
CID 70602858
1-amino-2-phenylcyclopropane-1-carbonitrile
CID 70611404
1-[(1R,2S)-2-phenyl-1-trimethylsilylcyclopropyl]ethanol
CID 102252697
trans-(1S,2R)-1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483746
1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483891
1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine
CID 84690014

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine (CID 90206365) is trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine is CC(C)[C@@]1(N)C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
The InChIKey is DBOYOHXQLBCZAO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)12(13)8-11(12)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine?
trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 90206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).