2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine

C18H29N — CID 114457625

IUPAC2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CC2CCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14(2)16-9-11-17(12-10-16)18(19)13-15-7-5-3-4-6-8-15/h9-12,14-15,18H,3-8,13,19H2,1-2H3
InChIKeyJAIGPFPAUDYRAZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.17
Rot. Bonds4

About 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine

2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 114457625) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID114457625
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CC2CCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14(2)16-9-11-17(12-10-16)18(19)13-15-7-5-3-4-6-8-15/h9-12,14-15,18H,3-8,13,19H2,1-2H3
InChIKeyJAIGPFPAUDYRAZ-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
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1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
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1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
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2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 105144795

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine (CID 114457625) is 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)CC2CCCCCC2)cc1.
What is the InChIKey of 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is JAIGPFPAUDYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)16-9-11-17(12-10-16)18(19)13-15-7-5-3-4-6-8-15/h9-12,14-15,18H,3-8,13,19H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine?
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 114457625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).