N,N-dimethyl-3-phenylbutan-1-amine

C12H19N — CID 13146772

IUPACN,N-dimethyl-3-phenylbutan-1-amine
SMILESCC(CCN(C)C)c1ccccc1
InChIInChI=1S/C12H19N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyGAICVPVDFBPSME-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.74
Rot. Bonds4

About N,N-dimethyl-3-phenylbutan-1-amine

N,N-dimethyl-3-phenylbutan-1-amine (PubChem CID 13146772) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylbutan-1-amine
PubChem CID13146772
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,N-dimethyl-3-phenylbutan-1-amine
SMILESCC(CCN(C)C)c1ccccc1
InChIInChI=1S/C12H19N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyGAICVPVDFBPSME-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenylbutan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenylbutan-1-amine (CID 13146772) is N,N-dimethyl-3-phenylbutan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenylbutan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenylbutan-1-amine is CC(CCN(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenylbutan-1-amine?
The InChIKey is GAICVPVDFBPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11(9-10-13(2)3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-phenylbutan-1-amine?
N,N-dimethyl-3-phenylbutan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylbutan-1-amine is sourced from PubChem (CID 13146772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).