N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine

C20H23Cl2NO — CID 35698068

IUPACN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
SMILESClc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C20H23Cl2NO/c21-18-11-16(13-23-17-9-5-2-6-10-17)12-19(22)20(18)24-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,17,23H,2,5-6,9-10,13-14H2
InChIKeyOOTBSFIKCAJPFI-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.99
Rot. Bonds6

About N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine (PubChem CID 35698068) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
PubChem CID35698068
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
SMILESClc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C20H23Cl2NO/c21-18-11-16(13-23-17-9-5-2-6-10-17)12-19(22)20(18)24-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,17,23H,2,5-6,9-10,13-14H2
InChIKeyOOTBSFIKCAJPFI-UHFFFAOYSA-N
XLogP5.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 35698685
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
CID 70789913
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17295387
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 4720875
1-benzyl-N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 17159161
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 4721597
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclohexanamine
CID 17055912
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158349
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331560

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine (CID 35698068) is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine is Clc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine?
The InChIKey is OOTBSFIKCAJPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c21-18-11-16(13-23-17-9-5-2-6-10-17)12-19(22)20(18)24-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,17,23H,2,5-6,9-10,13-14H2.
What are the key properties of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine?
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine has a molecular weight of 364.32 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 35698068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).