[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine

C18H28ClN — CID 63521434

IUPAC[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN/c1-17(2,3)15-8-10-18(13-20,11-9-15)12-14-6-4-5-7-16(14)19/h4-7,15H,8-13,20H2,1-3H3
InChIKeySLEMTIXTHAAPSW-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.06
Rot. Bonds3

About [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine

[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine (PubChem CID 63521434) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
PubChem CID63521434
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H28ClN/c1-17(2,3)15-8-10-18(13-20,11-9-15)12-14-6-4-5-7-16(14)19/h4-7,15H,8-13,20H2,1-3H3
InChIKeySLEMTIXTHAAPSW-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

1-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-2-chlorobenzene
CID 66048707
[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
CID 63523406
[4-tert-butyl-1-[(4-iodophenyl)methyl]cyclohexyl]methanamine
CID 65488924
[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 63521616
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methanamine
CID 106323361
[1-(4-tert-butylcyclohexyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105232724
1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66035565
[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112644052
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine (CID 63521434) is [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(Cc2ccccc2Cl)CC1.
What is the InChIKey of [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is SLEMTIXTHAAPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-17(2,3)15-8-10-18(13-20,11-9-15)12-14-6-4-5-7-16(14)19/h4-7,15H,8-13,20H2,1-3H3.
What are the key properties of [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine?
[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 293.88 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63521434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).