4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine

C13H21ClN2 — CID 62431023

IUPAC4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
SMILESCC(CCCN)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2/c1-11(5-4-8-15)16(2)10-12-6-3-7-13(14)9-12/h3,6-7,9,11H,4-5,8,10,15H2,1-2H3
InChIKeyXXOXBFJJPATXSW-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.90
Rot. Bonds6

About 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine

4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine (PubChem CID 62431023) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
PubChem CID62431023
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
SMILESCC(CCCN)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2/c1-11(5-4-8-15)16(2)10-12-6-3-7-13(14)9-12/h3,6-7,9,11H,4-5,8,10,15H2,1-2H3
InChIKeyXXOXBFJJPATXSW-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
CID 62431547
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
CID 65232580
ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate
CID 78994299
2-N-[(3-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054284
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55022248
2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 61413520
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 61416986
N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 90144753

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine (CID 62431023) is 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine is CC(CCCN)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine?
The InChIKey is XXOXBFJJPATXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-11(5-4-8-15)16(2)10-12-6-3-7-13(14)9-12/h3,6-7,9,11H,4-5,8,10,15H2,1-2H3.
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine?
4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62431023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).