1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane

C19H23ClN2 — CID 3627

IUPAC1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
SMILESCN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3
InChIKeyWEUCDJCFJHYFRL-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.07
Rot. Bonds3

About 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane

1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane (PubChem CID 3627) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
PubChem CID3627
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
SMILESCN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3
InChIKeyWEUCDJCFJHYFRL-UHFFFAOYSA-N
XLogP4.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Buclizine
CID 6729
Meclizine
CID 4034
Norchlorcyclizine
CID 9340
Chlorcyclizine Hydrochloride
CID 62413
Meclozine Dihydrochloride
CID 64713
Meclizine Monohydrochloride
CID 92303
Meclizine Hydrochloride
CID 173612
Clocinizine
CID 5375618
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
Chlorcyclizine, (R)-
CID 688438

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane (CID 3627) is 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?
The InChIKey is WEUCDJCFJHYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?
1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane has a molecular weight of 314.86 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is sourced from PubChem (CID 3627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).