2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine

C15H25ClN2 — CID 107096703

IUPAC2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCc1c(Cl)cccc1CNC(C)CNCC(C)C
InChIInChI=1S/C15H25ClN2/c1-11(2)8-17-9-12(3)18-10-14-6-5-7-15(16)13(14)4/h5-7,11-12,17-18H,8-10H2,1-4H3
InChIKeyFYDKHSJMPBVQNY-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.37
Rot. Bonds7

About 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 107096703) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID107096703
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCc1c(Cl)cccc1CNC(C)CNCC(C)C
InChIInChI=1S/C15H25ClN2/c1-11(2)8-17-9-12(3)18-10-14-6-5-7-15(16)13(14)4/h5-7,11-12,17-18H,8-10H2,1-4H3
InChIKeyFYDKHSJMPBVQNY-UHFFFAOYSA-N
XLogP3.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
2-N-[(3-chloro-4-iodophenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103208117
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
N-[(2-tert-butylsulfanyl-3-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 114070241
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
1-N-tert-butyl-2-N-[(2-chloro-3-methylphenyl)methyl]propane-1,2-diamine
CID 113407546
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 63462744
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62411724
2-chloro-N-[(2,3-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 107310114

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine (CID 107096703) is 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine is Cc1c(Cl)cccc1CNC(C)CNCC(C)C.
What is the InChIKey of 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is FYDKHSJMPBVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-11(2)8-17-9-12(3)18-10-14-6-5-7-15(16)13(14)4/h5-7,11-12,17-18H,8-10H2,1-4H3.
What are the key properties of 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-chloro-2-methylphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 107096703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).