butanoic acid;N,N-dimethyl-2-phenylethanamine

C14H23NO2 — CID 174426919

IUPACbutanoic acid;N,N-dimethyl-2-phenylethanamine
SMILESCCCC(=O)O.CN(C)CCc1ccccc1
InChIInChI=1S/C10H15N.C4H8O2/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-3-4(5)6/h3-7H,8-9H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyKZPUNOLHJSQCKH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.66
Rot. Bonds5

About butanoic acid;N,N-dimethyl-2-phenylethanamine

butanoic acid;N,N-dimethyl-2-phenylethanamine (PubChem CID 174426919) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is butanoic acid;N,N-dimethyl-2-phenylethanamine.

Molecular Properties

Compound Namebutanoic acid;N,N-dimethyl-2-phenylethanamine
PubChem CID174426919
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namebutanoic acid;N,N-dimethyl-2-phenylethanamine
SMILESCCCC(=O)O.CN(C)CCc1ccccc1
InChIInChI=1S/C10H15N.C4H8O2/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-3-4(5)6/h3-7H,8-9H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyKZPUNOLHJSQCKH-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
CID 82330379
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
butanoic acid;N,N-dimethylpropan-1-amine
CID 173099179
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
N,N-dimethyl-2-phenylethanamine;ethyl formate
CID 158758698
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
lanthanum;3-phenylpropanoic acid
CID 174887955
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900

Frequently Asked Questions

What is the IUPAC name of butanoic acid;N,N-dimethyl-2-phenylethanamine?
The IUPAC name of butanoic acid;N,N-dimethyl-2-phenylethanamine (CID 174426919) is butanoic acid;N,N-dimethyl-2-phenylethanamine.
What is the SMILES notation for butanoic acid;N,N-dimethyl-2-phenylethanamine?
The canonical SMILES for butanoic acid;N,N-dimethyl-2-phenylethanamine is CCCC(=O)O.CN(C)CCc1ccccc1.
What is the InChIKey of butanoic acid;N,N-dimethyl-2-phenylethanamine?
The InChIKey is KZPUNOLHJSQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C4H8O2/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-3-4(5)6/h3-7H,8-9H2,1-2H3;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;N,N-dimethyl-2-phenylethanamine?
butanoic acid;N,N-dimethyl-2-phenylethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;N,N-dimethyl-2-phenylethanamine is sourced from PubChem (CID 174426919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).