4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol

C15H22BrNO — CID 43761707

IUPAC4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol
SMILESCCC(NC1CCC(O)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-15(11-4-3-5-12(16)10-11)17-13-6-8-14(18)9-7-13/h3-5,10,13-15,17-18H,2,6-9H2,1H3
InChIKeyVVVZZZBTGDSEDE-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.79
Rot. Bonds4

About 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol

4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol (PubChem CID 43761707) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol
PubChem CID43761707
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol
SMILESCCC(NC1CCC(O)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-15(11-4-3-5-12(16)10-11)17-13-6-8-14(18)9-7-13/h3-5,10,13-15,17-18H,2,6-9H2,1H3
InChIKeyVVVZZZBTGDSEDE-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
CID 113262133
N-[1-(3-bromophenyl)propyl]-1,1-dioxothian-3-amine
CID 63922699
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[1-(3-bromophenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297572
N-[1-(3-bromophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763522
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
CID 113262006
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
1-(3-bromophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585210

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol?
The IUPAC name of 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol (CID 43761707) is 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol is CCC(NC1CCC(O)CC1)c1cccc(Br)c1.
What is the InChIKey of 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol?
The InChIKey is VVVZZZBTGDSEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-15(11-4-3-5-12(16)10-11)17-13-6-8-14(18)9-7-13/h3-5,10,13-15,17-18H,2,6-9H2,1H3.
What are the key properties of 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol?
4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromophenyl)propylamino]cyclohexan-1-ol is sourced from PubChem (CID 43761707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).