N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine

C13H19N — CID 44572694

IUPACN-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)14-9-12-8-13(12)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyZQEPDMZYCDQAFT-CHWSQXEVSA-N
MW189.30 g/mol
LogP2.79
Rot. Bonds4

About N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine

N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine (PubChem CID 44572694) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine
PubChem CID44572694
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)14-9-12-8-13(12)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyZQEPDMZYCDQAFT-CHWSQXEVSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine (CID 44572694) is N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine is CC(C)NC[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine?
The InChIKey is ZQEPDMZYCDQAFT-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)14-9-12-8-13(12)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine?
N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-phenylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 44572694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).