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

C11H15N — CID 10898996

IUPACN-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine
SMILESCNC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-12-8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyMSKJTQHAEVRFRN-GHMZBOCLSA-N
MW161.25 g/mol
LogP2.01
Rot. Bonds3

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

N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine (PubChem CID 10898996) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine
PubChem CID10898996
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine
SMILESCNC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-12-8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11-/m1/s1
InChIKeyMSKJTQHAEVRFRN-GHMZBOCLSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine (CID 10898996) is N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine is CNC[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine?
The InChIKey is MSKJTQHAEVRFRN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15N/c1-12-8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine?
N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine has a molecular weight of 161.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine is sourced from PubChem (CID 10898996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).