2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol

C13H20ClNO — CID 106506462

IUPAC2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-7-13(9-15,10-16)8-11-5-3-4-6-12(11)14/h3-6,16H,2,7-10,15H2,1H3
InChIKeyIAIIOVMTLLUNQS-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.62
Rot. Bonds6

About 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol

2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol (PubChem CID 106506462) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
PubChem CID106506462
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-7-13(9-15,10-16)8-11-5-3-4-6-12(11)14/h3-6,16H,2,7-10,15H2,1H3
InChIKeyIAIIOVMTLLUNQS-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
CID 106506364
2-[(2-methylphenyl)methyl]-2-propylpropane-1,3-diol
CID 79450994
2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol
CID 106508317
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol
CID 106506324
2-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 102863931
1-[2,2-bis(chloromethyl)pentyl]-2,3-dichlorobenzene
CID 107310887
2-[(2-chloro-6-fluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 79450730
2-[[2-[2,2-bis(hydroxymethyl)tetradecyl]phenyl]methyl]-2-dodecylpropane-1,3-diol
CID 140913600
2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol
CID 106506348
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol
CID 106506403

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol (CID 106506462) is 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol is CCCC(CN)(CO)Cc1ccccc1Cl.
What is the InChIKey of 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol?
The InChIKey is IAIIOVMTLLUNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-7-13(9-15,10-16)8-11-5-3-4-6-12(11)14/h3-6,16H,2,7-10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol?
2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol is sourced from PubChem (CID 106506462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).