3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol

C14H23ClN2O — CID 114849790

IUPAC3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
SMILESCNCc1cc(Cl)ccc1N(CCCO)C(C)C
InChIInChI=1S/C14H23ClN2O/c1-11(2)17(7-4-8-18)14-6-5-13(15)9-12(14)10-16-3/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3
InChIKeyWOIIMLUABXWRMX-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.66
Rot. Bonds7

About 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol

3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol (PubChem CID 114849790) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol.

Molecular Properties

Compound Name3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
PubChem CID114849790
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
SMILESCNCc1cc(Cl)ccc1N(CCCO)C(C)C
InChIInChI=1S/C14H23ClN2O/c1-11(2)17(7-4-8-18)14-6-5-13(15)9-12(14)10-16-3/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3
InChIKeyWOIIMLUABXWRMX-UHFFFAOYSA-N
XLogP2.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-fluoro-6-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114068300
3-[2-chloro-N-propan-2-yl-4-[(propan-2-ylamino)methyl]anilino]propan-1-ol
CID 81148728
4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
CID 114853635
3-[2-chloro-4-[(2-methylpropylamino)methyl]-N-propan-2-ylanilino]propan-1-ol
CID 81143287
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline
CID 114847920
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
2-chloro-4-(methylaminomethyl)-N-pentyl-N-propan-2-ylaniline
CID 81149585
2-[2-[(tert-butylamino)methyl]-5-chloro-N-propan-2-ylanilino]ethanol
CID 114849745
2-[(tert-butylamino)methyl]-4-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849963
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The IUPAC name of 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol (CID 114849790) is 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol.
What is the SMILES notation for 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The canonical SMILES for 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol is CNCc1cc(Cl)ccc1N(CCCO)C(C)C.
What is the InChIKey of 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
The InChIKey is WOIIMLUABXWRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-11(2)17(7-4-8-18)14-6-5-13(15)9-12(14)10-16-3/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3.
What are the key properties of 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol?
3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol is sourced from PubChem (CID 114849790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).