N-[(3-propylphenyl)methyl]ethanamine

C12H19N — CID 59900553

IUPACN-[(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(CNCC)c1
InChIInChI=1S/C12H19N/c1-3-6-11-7-5-8-12(9-11)10-13-4-2/h5,7-9,13H,3-4,6,10H2,1-2H3
InChIKeySDHDPOSJJXZTSO-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds5

About N-[(3-propylphenyl)methyl]ethanamine

N-[(3-propylphenyl)methyl]ethanamine (PubChem CID 59900553) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propylphenyl)methyl]ethanamine
PubChem CID59900553
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(CNCC)c1
InChIInChI=1S/C12H19N/c1-3-6-11-7-5-8-12(9-11)10-13-4-2/h5,7-9,13H,3-4,6,10H2,1-2H3
InChIKeySDHDPOSJJXZTSO-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
3-(ethylaminomethyl)benzaldehyde
CID 90105279
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
[3-(ethylaminomethyl)phenyl]boronic acid
CID 46785556
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62425610
N-oxido-3-propylaniline
CID 142022424

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-propylphenyl)methyl]ethanamine (CID 59900553) is N-[(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-propylphenyl)methyl]ethanamine is CCCc1cccc(CNCC)c1.
What is the InChIKey of N-[(3-propylphenyl)methyl]ethanamine?
The InChIKey is SDHDPOSJJXZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-6-11-7-5-8-12(9-11)10-13-4-2/h5,7-9,13H,3-4,6,10H2,1-2H3.
What are the key properties of N-[(3-propylphenyl)methyl]ethanamine?
N-[(3-propylphenyl)methyl]ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 59900553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).