2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C14H24ClN3 — CID 103189441

IUPAC2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1cc(N)cc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C14H24ClN3/c1-5-18(11(2)9-17(3)4)10-12-6-13(15)8-14(16)7-12/h6-8,11H,5,9-10,16H2,1-4H3
InChIKeyHMYKSPDFKOECKM-UHFFFAOYSA-N
MW269.82 g/mol
LogP2.69
Rot. Bonds6

About 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189441) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189441
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1cc(N)cc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C14H24ClN3/c1-5-18(11(2)9-17(3)4)10-12-6-13(15)8-14(16)7-12/h6-8,11H,5,9-10,16H2,1-4H3
InChIKeyHMYKSPDFKOECKM-UHFFFAOYSA-N
XLogP2.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 107740422
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 103192624
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile
CID 103188929
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190706
2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189509
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-methoxybenzenecarbothioamide
CID 103189034
5-[[butan-2-yl(ethyl)amino]methyl]-2-chloroaniline
CID 43274087
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189441) is 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(Cc1cc(N)cc(Cl)c1)C(C)CN(C)C.
What is the InChIKey of 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is HMYKSPDFKOECKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-5-18(11(2)9-17(3)4)10-12-6-13(15)8-14(16)7-12/h6-8,11H,5,9-10,16H2,1-4H3.
What are the key properties of 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 269.82 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-amino-5-chlorophenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).