3-naphthalen-2-yl-3-(propylamino)propan-1-ol

C16H21NO — CID 64814482

IUPAC3-naphthalen-2-yl-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-2-10-17-16(9-11-18)15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12,16-18H,2,9-11H2,1H3
InChIKeyHMBSEMPDWNYMBB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.26
Rot. Bonds6

About 3-naphthalen-2-yl-3-(propylamino)propan-1-ol

3-naphthalen-2-yl-3-(propylamino)propan-1-ol (PubChem CID 64814482) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-naphthalen-2-yl-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-naphthalen-2-yl-3-(propylamino)propan-1-ol
PubChem CID64814482
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-naphthalen-2-yl-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-2-10-17-16(9-11-18)15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12,16-18H,2,9-11H2,1H3
InChIKeyHMBSEMPDWNYMBB-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
3-(9H-fluoren-2-yl)-3-(propylamino)propan-1-ol
CID 64814899
2-[(2-amino-1-naphthalen-2-ylethyl)amino]ethanol
CID 65379520
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
N-ethyl-4-methyl-1-naphthalen-2-ylpentan-1-amine
CID 63417061
1-naphthalen-2-ylbutylhydrazine
CID 105202092

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-3-(propylamino)propan-1-ol?
The IUPAC name of 3-naphthalen-2-yl-3-(propylamino)propan-1-ol (CID 64814482) is 3-naphthalen-2-yl-3-(propylamino)propan-1-ol.
What is the SMILES notation for 3-naphthalen-2-yl-3-(propylamino)propan-1-ol?
The canonical SMILES for 3-naphthalen-2-yl-3-(propylamino)propan-1-ol is CCCNC(CCO)c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-3-(propylamino)propan-1-ol?
The InChIKey is HMBSEMPDWNYMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-10-17-16(9-11-18)15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12,16-18H,2,9-11H2,1H3.
What are the key properties of 3-naphthalen-2-yl-3-(propylamino)propan-1-ol?
3-naphthalen-2-yl-3-(propylamino)propan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-3-(propylamino)propan-1-ol is sourced from PubChem (CID 64814482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).