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

C14H23ClN2O — CID 102663034

IUPAC1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(CN)cc1Cl)CC(C)(C)O
InChIInChI=1S/C14H23ClN2O/c1-4-17(10-14(2,3)18)9-12-6-5-11(8-16)7-13(12)15/h5-7,18H,4,8-10,16H2,1-3H3
InChIKeyXMQKQODAWZGKLX-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.39
Rot. Bonds6

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

1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 102663034) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID102663034
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(CN)cc1Cl)CC(C)(C)O
InChIInChI=1S/C14H23ClN2O/c1-4-17(10-14(2,3)18)9-12-6-5-11(8-16)7-13(12)15/h5-7,18H,4,8-10,16H2,1-3H3
InChIKeyXMQKQODAWZGKLX-UHFFFAOYSA-N
XLogP2.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 102666302
N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694
3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
CID 102663095
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
CID 102662972
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78963628
1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
CID 78966629
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78964731
[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 102663509
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol (CID 102663034) is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1ccc(CN)cc1Cl)CC(C)(C)O.
What is the InChIKey of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is XMQKQODAWZGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-17(10-14(2,3)18)9-12-6-5-11(8-16)7-13(12)15/h5-7,18H,4,8-10,16H2,1-3H3.
What are the key properties of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol?
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 270.80 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 102663034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).