1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol

C20H33NO2 — CID 175883460

IUPAC1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccccc1CCC(C)NCC1(O)CCCCC1
InChIInChI=1S/C20H33NO2/c1-3-15-23-19-10-6-5-9-18(19)12-11-17(2)21-16-20(22)13-7-4-8-14-20/h5-6,9-10,17,21-22H,3-4,7-8,11-16H2,1-2H3
InChIKeyXAFJRULBVHPBHT-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.08
Rot. Bonds9

About 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol

1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol (PubChem CID 175883460) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
PubChem CID175883460
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCCCOc1ccccc1CCC(C)NCC1(O)CCCCC1
InChIInChI=1S/C20H33NO2/c1-3-15-23-19-10-6-5-9-18(19)12-11-17(2)21-16-20(22)13-7-4-8-14-20/h5-6,9-10,17,21-22H,3-4,7-8,11-16H2,1-2H3
InChIKeyXAFJRULBVHPBHT-UHFFFAOYSA-N
XLogP4.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
CID 64504944
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
N-methyl-1-(2-propoxyphenyl)pentan-3-amine
CID 104662744
1-[[2-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 65210710
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 55152835
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol (CID 175883460) is 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol is CCCOc1ccccc1CCC(C)NCC1(O)CCCCC1.
What is the InChIKey of 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
The InChIKey is XAFJRULBVHPBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-15-23-19-10-6-5-9-18(19)12-11-17(2)21-16-20(22)13-7-4-8-14-20/h5-6,9-10,17,21-22H,3-4,7-8,11-16H2,1-2H3.
What are the key properties of 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol?
1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol has a molecular weight of 319.49 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 175883460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).