1-(3-propan-2-ylphenyl)ethanamine

C11H17N — CID 63886929

IUPAC1-(3-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1cccc(C(C)N)c1
InChIInChI=1S/C11H17N/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-9H,12H2,1-3H3
InChIKeyORMTYHTVUJVAEE-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.83
Rot. Bonds2

About 1-(3-propan-2-ylphenyl)ethanamine

1-(3-propan-2-ylphenyl)ethanamine (PubChem CID 63886929) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)ethanamine
PubChem CID63886929
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(3-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1cccc(C(C)N)c1
InChIInChI=1S/C11H17N/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-9H,12H2,1-3H3
InChIKeyORMTYHTVUJVAEE-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 130804056
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
CID 88556046
CID 88556046
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(3-propan-2-ylphenyl)ethanamine (CID 63886929) is 1-(3-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-propan-2-ylphenyl)ethanamine is CC(C)c1cccc(C(C)N)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)ethanamine?
The InChIKey is ORMTYHTVUJVAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-9H,12H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylphenyl)ethanamine?
1-(3-propan-2-ylphenyl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63886929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).