1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane

C23H26N2 — CID 3657426

IUPAC1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
SMILESCc1ccccc1C(c1cccc2ccccc12)N1CCCNCC1
InChIInChI=1S/C23H26N2/c1-18-8-2-4-11-20(18)23(25-16-7-14-24-15-17-25)22-13-6-10-19-9-3-5-12-21(19)22/h2-6,8-13,23-24H,7,14-17H2,1H3
InChIKeyLNIIRGFTOGAZPR-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.53
Rot. Bonds3

About 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane

1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane (PubChem CID 3657426) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
PubChem CID3657426
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
SMILESCc1ccccc1C(c1cccc2ccccc12)N1CCCNCC1
InChIInChI=1S/C23H26N2/c1-18-8-2-4-11-20(18)23(25-16-7-14-24-15-17-25)22-13-6-10-19-9-3-5-12-21(19)22/h2-6,8-13,23-24H,7,14-17H2,1H3
InChIKeyLNIIRGFTOGAZPR-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-methylthiophen-2-yl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3765993
1-[naphthalen-1-yl-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3663776
1-[(2-ethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3742611
1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3730605
1-[(5-chloro-2-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 5134406
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3842624
1-[naphthalen-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3321871
1-[(2-methylphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3814123
1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
CID 5023904
1-[(2-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4201930
1-[(2,4-difluorophenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3761788
1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
The IUPAC name of 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane (CID 3657426) is 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane.
What is the SMILES notation for 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
The canonical SMILES for 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane is Cc1ccccc1C(c1cccc2ccccc12)N1CCCNCC1.
What is the InChIKey of 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
The InChIKey is LNIIRGFTOGAZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-18-8-2-4-11-20(18)23(25-16-7-14-24-15-17-25)22-13-6-10-19-9-3-5-12-21(19)22/h2-6,8-13,23-24H,7,14-17H2,1H3.
What are the key properties of 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane?
1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane has a molecular weight of 330.48 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane is sourced from PubChem (CID 3657426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).