N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine

C14H24N2 — CID 61411868

IUPACN'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNC(C)C)c1
InChIInChI=1S/C14H24N2/c1-12(2)15-8-9-16(4)11-14-7-5-6-13(3)10-14/h5-7,10,12,15H,8-9,11H2,1-4H3
InChIKeyHMNCTQPGRPPPNV-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.42
Rot. Bonds6

About N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine

N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 61411868) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
PubChem CID61411868
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNC(C)C)c1
InChIInChI=1S/C14H24N2/c1-12(2)15-8-9-16(4)11-14-7-5-6-13(3)10-14/h5-7,10,12,15H,8-9,11H2,1-4H3
InChIKeyHMNCTQPGRPPPNV-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409096
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503457
N-(2-chlorophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503615
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
N'-[(2-bromo-3-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 114023812

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine (CID 61411868) is N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine is Cc1cccc(CN(C)CCNC(C)C)c1.
What is the InChIKey of N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
The InChIKey is HMNCTQPGRPPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)15-8-9-16(4)11-14-7-5-6-13(3)10-14/h5-7,10,12,15H,8-9,11H2,1-4H3.
What are the key properties of N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 61411868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).