3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol

C13H21ClN2O — CID 102663095

IUPAC3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-2-16(6-3-7-17)10-12-5-4-11(9-15)8-13(12)14/h4-5,8,17H,2-3,6-7,9-10,15H2,1H3
InChIKeyLZQYBKZQFNSOSF-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.00
Rot. Bonds7

About 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol

3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol (PubChem CID 102663095) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
PubChem CID102663095
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-2-16(6-3-7-17)10-12-5-4-11(9-15)8-13(12)14/h4-5,8,17H,2-3,6-7,9-10,15H2,1H3
InChIKeyLZQYBKZQFNSOSF-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694
3-[(2-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 115666385
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
CID 102662972
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243
3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 102669675
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
3-[(2-chloro-5-nitrophenyl)methyl-ethylamino]propan-1-ol
CID 115666095
4-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
3-[(2-chloro-4-pyridinyl)methyl-ethylamino]propan-1-ol
CID 115666093
4-[[ethyl(3-hydroxypropyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114482038
2-[(2-chloro-4-nitrophenyl)methyl-ethylamino]ethanol
CID 62021414

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol (CID 102663095) is 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol is CCN(CCCO)Cc1ccc(CN)cc1Cl.
What is the InChIKey of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol?
The InChIKey is LZQYBKZQFNSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-16(6-3-7-17)10-12-5-4-11(9-15)8-13(12)14/h4-5,8,17H,2-3,6-7,9-10,15H2,1H3.
What are the key properties of 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol?
3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol has a molecular weight of 256.78 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 102663095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).