1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde

C17H24ClNO — CID 62986108

IUPAC1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde
SMILESCC(c1ccccc1Cl)N(C)CC1(C=O)CCCCC1
InChIInChI=1S/C17H24ClNO/c1-14(15-8-4-5-9-16(15)18)19(2)12-17(13-20)10-6-3-7-11-17/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyZQUQYUSIPSLCAJ-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.48
Rot. Bonds5

About 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde

1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 62986108) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde
PubChem CID62986108
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde
SMILESCC(c1ccccc1Cl)N(C)CC1(C=O)CCCCC1
InChIInChI=1S/C17H24ClNO/c1-14(15-8-4-5-9-16(15)18)19(2)12-17(13-20)10-6-3-7-11-17/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyZQUQYUSIPSLCAJ-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 65480545
4-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
CID 62978113
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62986113
1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81172128
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119832261
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde (CID 62986108) is 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde is CC(c1ccccc1Cl)N(C)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is ZQUQYUSIPSLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-14(15-8-4-5-9-16(15)18)19(2)12-17(13-20)10-6-3-7-11-17/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde?
1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 293.84 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62986108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).