[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol

C19H31NO — CID 103965966

IUPAC[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCCCc1ccc(C(C)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-7-17-8-10-18(11-9-17)16(2)20-14-19(15-21)12-5-4-6-13-19/h8-11,16,20-21H,3-7,12-15H2,1-2H3
InChIKeySDQPUMPUEZYXDA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.23
Rot. Bonds7

About [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 103965966) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID103965966
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCCCc1ccc(C(C)NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-7-17-8-10-18(11-9-17)16(2)20-14-19(15-21)12-5-4-6-13-19/h8-11,16,20-21H,3-7,12-15H2,1-2H3
InChIKeySDQPUMPUEZYXDA-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
N-[(2-methylthiolan-2-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 80726715
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol (CID 103965966) is [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol is CCCc1ccc(C(C)NCC2(CO)CCCCC2)cc1.
What is the InChIKey of [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is SDQPUMPUEZYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-7-17-8-10-18(11-9-17)16(2)20-14-19(15-21)12-5-4-6-13-19/h8-11,16,20-21H,3-7,12-15H2,1-2H3.
What are the key properties of [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 289.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).