N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine

C13H20N2 — CID 43264750

IUPACN-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C2CC2)cc1
InChIInChI=1S/C13H20N2/c1-10-3-5-11(6-4-10)13(9-14)15(2)12-7-8-12/h3-6,12-13H,7-9,14H2,1-2H3
InChIKeyHDJPNXVGMNLKFQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.09
Rot. Bonds4

About N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine

N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 43264750) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID43264750
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C2CC2)cc1
InChIInChI=1S/C13H20N2/c1-10-3-5-11(6-4-10)13(9-14)15(2)12-7-8-12/h3-6,12-13H,7-9,14H2,1-2H3
InChIKeyHDJPNXVGMNLKFQ-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 55005212
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43648677
1-(4-fluorophenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61438895
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-(4-ethoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61439040
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 79968413
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43089504
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 16786109

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine (CID 43264750) is N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HDJPNXVGMNLKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-3-5-11(6-4-10)13(9-14)15(2)12-7-8-12/h3-6,12-13H,7-9,14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43264750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).