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

C19H24Cl2N2 — CID 6602662

IUPAC1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride
SMILESCN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C19H23ClN2.ClH/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;1H
InChIKeyBDIJPBVLZALCFW-UHFFFAOYSA-N
MW351.32 g/mol
LogP4.49
Rot. Bonds3

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

1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride (PubChem CID 6602662) has the molecular formula C19H24Cl2N2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride
PubChem CID6602662
Molecular FormulaC19H24Cl2N2
Molecular Weight351.32 g/mol
Exact Mass350.13
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride
SMILESCN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C19H23ClN2.ClH/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;1H
InChIKeyBDIJPBVLZALCFW-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride (CID 6602662) is 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride is CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride?
The InChIKey is BDIJPBVLZALCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2.ClH/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;1H.
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride?
1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;hydrochloride has a molecular weight of 351.32 g/mol, XLogP of 4.49, 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;hydrochloride is sourced from PubChem (CID 6602662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).