2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine

C14H23ClN2O — CID 113407375

IUPAC2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOc1cc(Cl)ccc1CNC(C)CNC(C)C
InChIInChI=1S/C14H23ClN2O/c1-10(2)16-8-11(3)17-9-12-5-6-13(15)7-14(12)18-4/h5-7,10-11,16-17H,8-9H2,1-4H3
InChIKeyVCIPNVFNUXEIFW-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.82
Rot. Bonds7

About 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine

2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 113407375) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID113407375
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOc1cc(Cl)ccc1CNC(C)CNC(C)C
InChIInChI=1S/C14H23ClN2O/c1-10(2)16-8-11(3)17-9-12-5-6-13(15)7-14(12)18-4/h5-7,10-11,16-17H,8-9H2,1-4H3
InChIKeyVCIPNVFNUXEIFW-UHFFFAOYSA-N
XLogP2.82
TPSA33.29 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
N-[(4-chloro-2-methoxyphenyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 146104284
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
3-[(4-chloro-2-methoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065539
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 63449510
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine (CID 113407375) is 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine is COc1cc(Cl)ccc1CNC(C)CNC(C)C.
What is the InChIKey of 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is VCIPNVFNUXEIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-10(2)16-8-11(3)17-9-12-5-6-13(15)7-14(12)18-4/h5-7,10-11,16-17H,8-9H2,1-4H3.
What are the key properties of 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine?
2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 270.80 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chloro-2-methoxyphenyl)methyl]-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 113407375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).