4-(3-ethylphenyl)-4-methylpentan-1-amine

C14H23N — CID 70653652

IUPAC4-(3-ethylphenyl)-4-methylpentan-1-amine
SMILESCCc1cccc(C(C)(C)CCCN)c1
InChIInChI=1S/C14H23N/c1-4-12-7-5-8-13(11-12)14(2,3)9-6-10-15/h5,7-8,11H,4,6,9-10,15H2,1-3H3
InChIKeyGCCSYHULHMNSNL-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.27
Rot. Bonds5

About 4-(3-ethylphenyl)-4-methylpentan-1-amine

4-(3-ethylphenyl)-4-methylpentan-1-amine (PubChem CID 70653652) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name4-(3-ethylphenyl)-4-methylpentan-1-amine
PubChem CID70653652
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-(3-ethylphenyl)-4-methylpentan-1-amine
SMILESCCc1cccc(C(C)(C)CCCN)c1
InChIInChI=1S/C14H23N/c1-4-12-7-5-8-13(11-12)14(2,3)9-6-10-15/h5,7-8,11H,4,6,9-10,15H2,1-3H3
InChIKeyGCCSYHULHMNSNL-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59692130
2-amino-2-(3-ethylphenyl)propan-1-ol
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2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
CID 71034690
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-tert-butyl-3-ethyl-5-[2-(3-ethylphenyl)-2-methylpropoxy]benzene
CID 167076425
ethane;3-[(3-ethylphenyl)methoxy]propan-1-amine
CID 142365545
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
1-ethyl-4-(2-methylheptan-2-yl)benzene
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(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-4-methylpentan-1-amine?
The IUPAC name of 4-(3-ethylphenyl)-4-methylpentan-1-amine (CID 70653652) is 4-(3-ethylphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 4-(3-ethylphenyl)-4-methylpentan-1-amine?
The canonical SMILES for 4-(3-ethylphenyl)-4-methylpentan-1-amine is CCc1cccc(C(C)(C)CCCN)c1.
What is the InChIKey of 4-(3-ethylphenyl)-4-methylpentan-1-amine?
The InChIKey is GCCSYHULHMNSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-12-7-5-8-13(11-12)14(2,3)9-6-10-15/h5,7-8,11H,4,6,9-10,15H2,1-3H3.
What are the key properties of 4-(3-ethylphenyl)-4-methylpentan-1-amine?
4-(3-ethylphenyl)-4-methylpentan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 70653652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).