(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol

C10H14ClNO — CID 151263607

IUPAC(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
SMILESC[C@@H](O)Cc1cc(Cl)ccc1CN
InChIInChI=1S/C10H14ClNO/c1-7(13)4-9-5-10(11)3-2-8(9)6-12/h2-3,5,7,13H,4,6,12H2,1H3/t7-/m1/s1
InChIKeyNUWCZYFPMZRFQS-SSDOTTSWSA-N
MW199.68 g/mol
LogP1.72
Rot. Bonds3

About (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol

(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol (PubChem CID 151263607) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
PubChem CID151263607
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
SMILESC[C@@H](O)Cc1cc(Cl)ccc1CN
InChIInChI=1S/C10H14ClNO/c1-7(13)4-9-5-10(11)3-2-8(9)6-12/h2-3,5,7,13H,4,6,12H2,1H3/t7-/m1/s1
InChIKeyNUWCZYFPMZRFQS-SSDOTTSWSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
1-[5-(aminomethyl)-2-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292407
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one
CID 151068715
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
CID 66878534
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol?
The IUPAC name of (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol (CID 151263607) is (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol is C[C@@H](O)Cc1cc(Cl)ccc1CN.
What is the InChIKey of (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol?
The InChIKey is NUWCZYFPMZRFQS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(13)4-9-5-10(11)3-2-8(9)6-12/h2-3,5,7,13H,4,6,12H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol?
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol has a molecular weight of 199.68 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol is sourced from PubChem (CID 151263607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).