[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol

C18H28ClNO — CID 103965824

IUPAC[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol
SMILESCCCC(NCC1(CO)CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-2-6-17(15-7-9-16(19)10-8-15)20-13-18(14-21)11-4-3-5-12-18/h7-10,17,20-21H,2-6,11-14H2,1H3
InChIKeyHGZUNXNXKOETHQ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.71
Rot. Bonds7

About [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol

[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol (PubChem CID 103965824) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol
PubChem CID103965824
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol
SMILESCCCC(NCC1(CO)CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-2-6-17(15-7-9-16(19)10-8-15)20-13-18(14-21)11-4-3-5-12-18/h7-10,17,20-21H,2-6,11-14H2,1H3
InChIKeyHGZUNXNXKOETHQ-UHFFFAOYSA-N
XLogP4.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol
CID 25418153
2-(Butylamino)-1,2-bis(4-chlorophenyl)ethanol;hydrochloride
CID 24184002
2-[4-[[1-(4-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572033
3-Amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
2-[(4-Chlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 2997422
2-[(4-Chlorobenzyl)amino]-1-butanol
CID 961325
(2-(3,4-Dichlorophenyl)-2-((ethylamino)methyl)-cyclohexyl)methanol
CID 58954861
Benzyl alcohol, alpha-(1-((p-chlorobenzyl)amino)ethyl)-, hydrochloride
CID 29312
1-Propanol, 2-((p-chlorobenzyl)amino)-3-phenyl-
CID 205354
(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol hydrochloride
CID 46738188
(2S,3S)-2-[(4-chlorophenyl)methylamino]-3-methylpentan-1-ol
CID 25263456
(2S,3S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-methylpentan-1-ol
CID 45933045

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol (CID 103965824) is [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol is CCCC(NCC1(CO)CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol?
The InChIKey is HGZUNXNXKOETHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-2-6-17(15-7-9-16(19)10-8-15)20-13-18(14-21)11-4-3-5-12-18/h7-10,17,20-21H,2-6,11-14H2,1H3.
What are the key properties of [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol?
[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol has a molecular weight of 309.88 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).