N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

C18H28ClN — CID 81029934

IUPACN-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-3-14-8-9-16(13-20-4-2)17(10-14)11-15-6-5-7-18(19)12-15/h5-7,12,14,16-17,20H,3-4,8-11,13H2,1-2H3
InChIKeyDIGHZSGSJKGPBF-UHFFFAOYSA-N
MW293.88 g/mol
LogP4.93
Rot. Bonds6

About N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 81029934) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID81029934
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1Cc1cccc(Cl)c1
InChIInChI=1S/C18H28ClN/c1-3-14-8-9-16(13-20-4-2)17(10-14)11-15-6-5-7-18(19)12-15/h5-7,12,14,16-17,20H,3-4,8-11,13H2,1-2H3
InChIKeyDIGHZSGSJKGPBF-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 114862740
N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 105411527
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544
1-[4-tert-butyl-2-[(3-chlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025461
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033962
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine (CID 81029934) is N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1Cc1cccc(Cl)c1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is DIGHZSGSJKGPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-3-14-8-9-16(13-20-4-2)17(10-14)11-15-6-5-7-18(19)12-15/h5-7,12,14,16-17,20H,3-4,8-11,13H2,1-2H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 293.88 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).