2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol

C13H20ClNO2 — CID 83933372

IUPAC2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(Cl)cc1CC(CN)CO
InChIInChI=1S/C13H20ClNO2/c1-2-5-17-13-4-3-12(14)7-11(13)6-10(8-15)9-16/h3-4,7,10,16H,2,5-6,8-9,15H2,1H3
InChIKeyGOKBMBOVNKAAMQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.24
Rot. Bonds7

About 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol

2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol (PubChem CID 83933372) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
PubChem CID83933372
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(Cl)cc1CC(CN)CO
InChIInChI=1S/C13H20ClNO2/c1-2-5-17-13-4-3-12(14)7-11(13)6-10(8-15)9-16/h3-4,7,10,16H,2,5-6,8-9,15H2,1H3
InChIKeyGOKBMBOVNKAAMQ-UHFFFAOYSA-N
XLogP2.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-methylbut-3-ynyl)-1-propoxybenzene
CID 83933419
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
1-(5-chloro-2-propoxyphenyl)-2-methylheptan-4-one
CID 83933394
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601
3-(5-chloro-2-propoxyphenyl)-2-(4-methylphenyl)propanoic acid
CID 83953981
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
CID 119071472

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol (CID 83933372) is 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol is CCCOc1ccc(Cl)cc1CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol?
The InChIKey is GOKBMBOVNKAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-2-5-17-13-4-3-12(14)7-11(13)6-10(8-15)9-16/h3-4,7,10,16H,2,5-6,8-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol?
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 83933372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).