N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine

C11H17ClN2 — CID 61417092

IUPACN'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1ccccc1Cl
InChIInChI=1S/C11H17ClN2/c1-14(8-4-7-13)9-10-5-2-3-6-11(10)12/h2-3,5-6H,4,7-9,13H2,1H3
InChIKeyBQCPEKCAAXNSCM-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.12
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine

N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 61417092) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID61417092
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1ccccc1Cl
InChIInChI=1S/C11H17ClN2/c1-14(8-4-7-13)9-10-5-2-3-6-11(10)12/h2-3,5-6H,4,7-9,13H2,1H3
InChIKeyBQCPEKCAAXNSCM-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-[(2-chlorophenyl)methyl]-N-methylpent-4-yn-1-amine
CID 115872604
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 61417092) is N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine is CN(CCCN)Cc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is BQCPEKCAAXNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-14(8-4-7-13)9-10-5-2-3-6-11(10)12/h2-3,5-6H,4,7-9,13H2,1H3.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 61417092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).