1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine

C16H23ClN2 — CID 106817441

IUPAC1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC2CC2)C2CC2)cc1Cl
InChIInChI=1S/C16H23ClN2/c1-11-2-5-13(8-15(11)17)16(9-18)19(14-6-7-14)10-12-3-4-12/h2,5,8,12,14,16H,3-4,6-7,9-10,18H2,1H3
InChIKeyFLZATDCCPROSBE-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.52
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine

1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine (PubChem CID 106817441) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine
PubChem CID106817441
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(CC2CC2)C2CC2)cc1Cl
InChIInChI=1S/C16H23ClN2/c1-11-2-5-13(8-15(11)17)16(9-18)19(14-6-7-14)10-12-3-4-12/h2,5,8,12,14,16H,3-4,6-7,9-10,18H2,1H3
InChIKeyFLZATDCCPROSBE-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 106817331
1-(3-chloro-4-methylphenyl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 106817357
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 106817250
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 61440583
2-(3-chloro-4-methylphenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 106817340
N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
1-(3-chloro-4-methylphenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 106817310

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine (CID 106817441) is 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(CC2CC2)C2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine?
The InChIKey is FLZATDCCPROSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-11-2-5-13(8-15(11)17)16(9-18)19(14-6-7-14)10-12-3-4-12/h2,5,8,12,14,16H,3-4,6-7,9-10,18H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine?
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine has a molecular weight of 278.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 106817441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).