N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine

C16H26N2 — CID 115207125

IUPACN-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CCN(C)CCNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-14-4-6-15(7-5-14)10-12-18(2)13-11-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyLSGWYGSAXTXGSC-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.48
Rot. Bonds8

About N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 115207125) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID115207125
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCCc1ccc(CCN(C)CCNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-14-4-6-15(7-5-14)10-12-18(2)13-11-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyLSGWYGSAXTXGSC-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128
N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
CID 115206831
N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
CID 79593449
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63503276
N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105347883
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine (CID 115207125) is N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine is CCc1ccc(CCN(C)CCNC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is LSGWYGSAXTXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-4-6-15(7-5-14)10-12-18(2)13-11-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115207125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).