1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine

C15H24BrN3 — CID 84607343

IUPAC1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine
SMILESCC1CCNCC(CN(C)C)N1c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-12-8-9-17-10-15(11-18(2)3)19(12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyASPPTCSMTFCWOH-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.57
Rot. Bonds3

About 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine

1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine (PubChem CID 84607343) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine
PubChem CID84607343
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine
SMILESCC1CCNCC(CN(C)C)N1c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-12-8-9-17-10-15(11-18(2)3)19(12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyASPPTCSMTFCWOH-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromo-4-methylphenyl)-7-methyl-1,4-diazepan-2-yl]ethanol
CID 84608275
methyl 2-[1-(4-bromophenyl)-1,4-diazepan-2-yl]acetate
CID 84608020
N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
CID 70794412
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
4-[(4-bromophenyl)methyl]piperidin-3-ol
CID 115005416
2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]acetic acid
CID 84607969
2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]-N-methylethanamine
CID 84607266
1-(4-bromophenyl)-3-(piperidin-4-ylmethyl)imidazol-2-one
CID 59175753
3-(5-bromo-2-methyl-1,3-benzodioxol-2-yl)pyrrolidine
CID 115062858
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
CID 71228209
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine (CID 84607343) is 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine is CC1CCNCC(CN(C)C)N1c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is ASPPTCSMTFCWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12-8-9-17-10-15(11-18(2)3)19(12)14-6-4-13(16)5-7-14/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine?
1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-7-methyl-1,4-diazepan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 84607343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).