3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one

C19H29NO — CID 117464194

IUPAC3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
SMILESCC(C)(C)C1CCC(c2ccccc2C(=O)CCN)CC1
InChIInChI=1S/C19H29NO/c1-19(2,3)15-10-8-14(9-11-15)16-6-4-5-7-17(16)18(21)12-13-20/h4-7,14-15H,8-13,20H2,1-3H3
InChIKeyUSXLFAISEMMNMA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.54
Rot. Bonds4

About 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one

3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one (PubChem CID 117464194) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
PubChem CID117464194
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
SMILESCC(C)(C)C1CCC(c2ccccc2C(=O)CCN)CC1
InChIInChI=1S/C19H29NO/c1-19(2,3)15-10-8-14(9-11-15)16-6-4-5-7-17(16)18(21)12-13-20/h4-7,14-15H,8-13,20H2,1-3H3
InChIKeyUSXLFAISEMMNMA-UHFFFAOYSA-N
XLogP4.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
3-amino-1-[2-(1-methylazepan-4-yl)phenyl]propan-1-one
CID 117405758
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
ethyl 4-(2-cyclopropylphenyl)-4-oxobutanoate
CID 79977029
4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid
CID 117487407
2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone
CID 23596752
ethyl 3-(2-cyclopropylphenyl)-3-oxopropanoate
CID 170994001
2-cyclopropylbenzohydrazide
CID 168909064
ethyl 2-cyclopropylbenzoate
CID 118105330
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
4-(2-cyclopropylphenyl)-2-methyl-4-oxobutanoic acid
CID 79977145
1-[2-(4-tert-butylcyclohexyl)phenyl]cyclopropane-1-carboxylic acid
CID 117484282

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one (CID 117464194) is 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one is CC(C)(C)C1CCC(c2ccccc2C(=O)CCN)CC1.
What is the InChIKey of 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one?
The InChIKey is USXLFAISEMMNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2,3)15-10-8-14(9-11-15)16-6-4-5-7-17(16)18(21)12-13-20/h4-7,14-15H,8-13,20H2,1-3H3.
What are the key properties of 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one?
3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one is sourced from PubChem (CID 117464194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).