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

C21H25Cl2NO — CID 35698685

IUPACN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
SMILESClc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C21H25Cl2NO/c22-19-12-17(14-24-18-10-6-1-2-7-11-18)13-20(23)21(19)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,24H,1-2,6-7,10-11,14-15H2
InChIKeyULPQIGCDFCBOQQ-UHFFFAOYSA-N
MW378.34 g/mol
LogP6.38
Rot. Bonds6

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

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine (PubChem CID 35698685) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
PubChem CID35698685
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine
SMILESClc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C21H25Cl2NO/c22-19-12-17(14-24-18-10-6-1-2-7-11-18)13-20(23)21(19)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,24H,1-2,6-7,10-11,14-15H2
InChIKeyULPQIGCDFCBOQQ-UHFFFAOYSA-N
XLogP6.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 35698068
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]cycloheptanamine?
The IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine (CID 35698685) is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine is Clc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine?
The InChIKey is ULPQIGCDFCBOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c22-19-12-17(14-24-18-10-6-1-2-7-11-18)13-20(23)21(19)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,24H,1-2,6-7,10-11,14-15H2.
What are the key properties of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine?
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]cycloheptanamine has a molecular weight of 378.34 g/mol, XLogP of 6.38, 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]cycloheptanamine is sourced from PubChem (CID 35698685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).