3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol

C16H27NO2 — CID 19065805

IUPAC3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol
SMILESCCCc1ccc(CN(CCCO)CCCO)cc1
InChIInChI=1S/C16H27NO2/c1-2-5-15-6-8-16(9-7-15)14-17(10-3-12-18)11-4-13-19/h6-9,18-19H,2-5,10-14H2,1H3
InChIKeyNCCHVIGHWKWBTL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.21
Rot. Bonds10

About 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol

3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol (PubChem CID 19065805) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol
PubChem CID19065805
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol
SMILESCCCc1ccc(CN(CCCO)CCCO)cc1
InChIInChI=1S/C16H27NO2/c1-2-5-15-6-8-16(9-7-15)14-17(10-3-12-18)11-4-13-19/h6-9,18-19H,2-5,10-14H2,1H3
InChIKeyNCCHVIGHWKWBTL-UHFFFAOYSA-N
XLogP2.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-hydroxypropyl(propyl)amino]methyl]benzonitrile
CID 110898500
4-[[butyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 110909459
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
4-(4-propylphenyl)butan-1-ol
CID 10511962
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine
CID 65478140
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol (CID 19065805) is 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol is CCCc1ccc(CN(CCCO)CCCO)cc1.
What is the InChIKey of 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol?
The InChIKey is NCCHVIGHWKWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-5-15-6-8-16(9-7-15)14-17(10-3-12-18)11-4-13-19/h6-9,18-19H,2-5,10-14H2,1H3.
What are the key properties of 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol?
3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl-[(4-propylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 19065805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).