N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine

C13H19N — CID 102513783

IUPACN,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
SMILESCN(C)C1(CCc2ccccc2)CC1
InChIInChI=1S/C13H19N/c1-14(2)13(10-11-13)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyFBAFDOSPJYLAFA-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.71
Rot. Bonds4

About N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine

N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine (PubChem CID 102513783) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
PubChem CID102513783
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
SMILESCN(C)C1(CCc2ccccc2)CC1
InChIInChI=1S/C13H19N/c1-14(2)13(10-11-13)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyFBAFDOSPJYLAFA-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine?
The IUPAC name of N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine (CID 102513783) is N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine?
The canonical SMILES for N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine is CN(C)C1(CCc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine?
The InChIKey is FBAFDOSPJYLAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14(2)13(10-11-13)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine?
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine is sourced from PubChem (CID 102513783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).