N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

C15H23ClN2 — CID 65480545

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CC1(CCN)CC1
InChIInChI=1S/C15H23ClN2/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(7-8-15)9-10-17/h3-6,12H,7-11,17H2,1-2H3
InChIKeyMDXRTEIFVFUUSU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.46
Rot. Bonds6

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 65480545) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
PubChem CID65480545
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CC1(CCN)CC1
InChIInChI=1S/C15H23ClN2/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(7-8-15)9-10-17/h3-6,12H,7-11,17H2,1-2H3
InChIKeyMDXRTEIFVFUUSU-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62986113
4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
CID 62978113
1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde
CID 62986108
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (CID 65480545) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is CC(c1ccccc1Cl)N(C)CC1(CCN)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is MDXRTEIFVFUUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(7-8-15)9-10-17/h3-6,12H,7-11,17H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 65480545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).