ethane;1-(4-methylphenyl)propan-1-amine

C12H21N — CID 142982263

IUPACethane;1-(4-methylphenyl)propan-1-amine
SMILESCC.CCC(N)c1ccc(C)cc1
InChIInChI=1S/C10H15N.C2H6/c1-3-10(11)9-6-4-8(2)5-7-9;1-2/h4-7,10H,3,11H2,1-2H3;1-2H3
InChIKeyHMTZTZCVIPUMLS-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.43
Rot. Bonds2

About ethane;1-(4-methylphenyl)propan-1-amine

ethane;1-(4-methylphenyl)propan-1-amine (PubChem CID 142982263) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)propan-1-amine
PubChem CID142982263
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameethane;1-(4-methylphenyl)propan-1-amine
SMILESCC.CCC(N)c1ccc(C)cc1
InChIInChI=1S/C10H15N.C2H6/c1-3-10(11)9-6-4-8(2)5-7-9;1-2/h4-7,10H,3,11H2,1-2H3;1-2H3
InChIKeyHMTZTZCVIPUMLS-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-[4-(1-aminopropyl)phenyl]propane-1-thiol;ethane
CID 169145239
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79691066
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
(1R)-N'-ethoxy-1-(4-methylphenyl)ethane-1,2-diamine
CID 163787468
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(1S)-3,3-difluoro-1-(4-methylphenyl)propan-1-amine
CID 131389625
(3R)-3-amino-3-(4-methylphenyl)propane-1,1-diol
CID 163794645
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)propan-1-amine?
The IUPAC name of ethane;1-(4-methylphenyl)propan-1-amine (CID 142982263) is ethane;1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for ethane;1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for ethane;1-(4-methylphenyl)propan-1-amine is CC.CCC(N)c1ccc(C)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)propan-1-amine?
The InChIKey is HMTZTZCVIPUMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-3-10(11)9-6-4-8(2)5-7-9;1-2/h4-7,10H,3,11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)propan-1-amine?
ethane;1-(4-methylphenyl)propan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 142982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).