ethane;2-methyl-3-phenylpropan-1-amine

C12H21N — CID 90796605

IUPACethane;2-methyl-3-phenylpropan-1-amine
SMILESCC.CC(CN)Cc1ccccc1
InChIInChI=1S/C10H15N.C2H6/c1-9(8-11)7-10-5-3-2-4-6-10;1-2/h2-6,9H,7-8,11H2,1H3;1-2H3
InChIKeyWWQAWIXMLPIIPJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds3

About ethane;2-methyl-3-phenylpropan-1-amine

ethane;2-methyl-3-phenylpropan-1-amine (PubChem CID 90796605) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is ethane;2-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Nameethane;2-methyl-3-phenylpropan-1-amine
PubChem CID90796605
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameethane;2-methyl-3-phenylpropan-1-amine
SMILESCC.CC(CN)Cc1ccccc1
InChIInChI=1S/C10H15N.C2H6/c1-9(8-11)7-10-5-3-2-4-6-10;1-2/h2-6,9H,7-8,11H2,1H3;1-2H3
InChIKeyWWQAWIXMLPIIPJ-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-3-(4-phenylsulfanylphenyl)propan-1-amine
CID 20573338
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
2-benzyl-3-methylbutan-1-amine
CID 59900587
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
ethane;2-methylpropylbenzene
CID 162200929
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
2-methyl-3-phenylpropane-1-thiol
CID 19981761
[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
2-methyl-4-phenylbutane-1,3-diamine
CID 20848308
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(3S)-3-(aminomethyl)-5-methyl-6-phenylhexanoic acid
CID 70083704

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-phenylpropan-1-amine?
The IUPAC name of ethane;2-methyl-3-phenylpropan-1-amine (CID 90796605) is ethane;2-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for ethane;2-methyl-3-phenylpropan-1-amine?
The canonical SMILES for ethane;2-methyl-3-phenylpropan-1-amine is CC.CC(CN)Cc1ccccc1.
What is the InChIKey of ethane;2-methyl-3-phenylpropan-1-amine?
The InChIKey is WWQAWIXMLPIIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-9(8-11)7-10-5-3-2-4-6-10;1-2/h2-6,9H,7-8,11H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3-phenylpropan-1-amine?
ethane;2-methyl-3-phenylpropan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 90796605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).