N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine

C19H30ClN — CID 81022944

IUPACN-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)(C)C)CC1c1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-5-21-13-15-9-10-16(19(2,3)4)12-18(15)14-7-6-8-17(20)11-14/h6-8,11,15-16,18,21H,5,9-10,12-13H2,1-4H3
InChIKeyGLCUAOUUEHWISP-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.50
Rot. Bonds4

About N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine

N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine (PubChem CID 81022944) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
PubChem CID81022944
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)(C)C)CC1c1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-5-21-13-15-9-10-16(19(2,3)4)12-18(15)14-7-6-8-17(20)11-14/h6-8,11,15-16,18,21H,5,9-10,12-13H2,1-4H3
InChIKeyGLCUAOUUEHWISP-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375702
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140
N-[[2-(3-chlorophenyl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026555
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
CID 81023628
1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025461
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine
CID 81012614

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine (CID 81022944) is N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)(C)C)CC1c1cccc(Cl)c1.
What is the InChIKey of N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is GLCUAOUUEHWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-5-21-13-15-9-10-16(19(2,3)4)12-18(15)14-7-6-8-17(20)11-14/h6-8,11,15-16,18,21H,5,9-10,12-13H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine?
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine has a molecular weight of 307.91 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81022944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).