4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine

C18H28ClN — CID 28528172

IUPAC4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCC(C(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN/c1-13(14-5-9-16(19)10-6-14)20-17-11-7-15(8-12-17)18(2,3)4/h5-6,9-10,13,15,17,20H,7-8,11-12H2,1-4H3/t13-,15?,17?/m1/s1
InChIKeyHKLPEURKTBXHML-BZOOQXSSSA-N
MW293.88 g/mol
LogP5.60
Rot. Bonds3

About 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine

4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine (PubChem CID 28528172) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
PubChem CID28528172
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@@H](NC1CCC(C(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN/c1-13(14-5-9-16(19)10-6-14)20-17-11-7-15(8-12-17)18(2,3)4/h5-6,9-10,13,15,17,20H,7-8,11-12H2,1-4H3/t13-,15?,17?/m1/s1
InChIKeyHKLPEURKTBXHML-BZOOQXSSSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631
4-tert-butyl-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexan-1-amine
CID 29045070
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
N-[1-(4-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981751

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine (CID 28528172) is 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine is C[C@@H](NC1CCC(C(C)(C)C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is HKLPEURKTBXHML-BZOOQXSSSA-N. The full InChI is InChI=1S/C18H28ClN/c1-13(14-5-9-16(19)10-6-14)20-17-11-7-15(8-12-17)18(2,3)4/h5-6,9-10,13,15,17,20H,7-8,11-12H2,1-4H3/t13-,15?,17?/m1/s1.
What are the key properties of 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 28528172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).