N-ethyl-1-(3-methylphenyl)butan-1-amine

C13H21N — CID 60818713

IUPACN-ethyl-1-(3-methylphenyl)butan-1-amine
SMILESCCCC(NCC)c1cccc(C)c1
InChIInChI=1S/C13H21N/c1-4-7-13(14-5-2)12-9-6-8-11(3)10-12/h6,8-10,13-14H,4-5,7H2,1-3H3
InChIKeyXNSKDXWZKFRDJA-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.45
Rot. Bonds5

About N-ethyl-1-(3-methylphenyl)butan-1-amine

N-ethyl-1-(3-methylphenyl)butan-1-amine (PubChem CID 60818713) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)butan-1-amine
PubChem CID60818713
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-ethyl-1-(3-methylphenyl)butan-1-amine
SMILESCCCC(NCC)c1cccc(C)c1
InChIInChI=1S/C13H21N/c1-4-7-13(14-5-2)12-9-6-8-11(3)10-12/h6,8-10,13-14H,4-5,7H2,1-3H3
InChIKeyXNSKDXWZKFRDJA-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
N,3-diethyl-1-(3-methylphenyl)pentan-1-amine
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3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
CID 106674066
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
CID 107758671

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)butan-1-amine (CID 60818713) is N-ethyl-1-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)butan-1-amine is CCCC(NCC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)butan-1-amine?
The InChIKey is XNSKDXWZKFRDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-13(14-5-2)12-9-6-8-11(3)10-12/h6,8-10,13-14H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)butan-1-amine?
N-ethyl-1-(3-methylphenyl)butan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 60818713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).