4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine

C15H23BrN2O — CID 65079383

IUPAC4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
SMILESCN(Cc1cccc(Br)c1)C1(CN)CCCOCC1
InChIInChI=1S/C15H23BrN2O/c1-18(11-13-4-2-5-14(16)10-13)15(12-17)6-3-8-19-9-7-15/h2,4-5,10H,3,6-9,11-12,17H2,1H3
InChIKeyUIWNMPGBTVQDIO-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.78
Rot. Bonds4

About 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine

4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine (PubChem CID 65079383) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
PubChem CID65079383
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
SMILESCN(Cc1cccc(Br)c1)C1(CN)CCCOCC1
InChIInChI=1S/C15H23BrN2O/c1-18(11-13-4-2-5-14(16)10-13)15(12-17)6-3-8-19-9-7-15/h2,4-5,10H,3,6-9,11-12,17H2,1H3
InChIKeyUIWNMPGBTVQDIO-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
CID 65079215
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
CID 65079216
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 106821849
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82717967
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine (CID 65079383) is 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine is CN(Cc1cccc(Br)c1)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine?
The InChIKey is UIWNMPGBTVQDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-18(11-13-4-2-5-14(16)10-13)15(12-17)6-3-8-19-9-7-15/h2,4-5,10H,3,6-9,11-12,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine?
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine has a molecular weight of 327.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine is sourced from PubChem (CID 65079383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).