4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine

C14H21BrN2O — CID 65385977

IUPAC4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
SMILESCCC1CC(CN)(Nc2ccc(Br)cc2)CCO1
InChIInChI=1S/C14H21BrN2O/c1-2-13-9-14(10-16,7-8-18-13)17-12-5-3-11(15)4-6-12/h3-6,13,17H,2,7-10,16H2,1H3
InChIKeyCLQQIYIWWJMUFZ-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.15
Rot. Bonds4

About 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine

4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine (PubChem CID 65385977) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
PubChem CID65385977
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
SMILESCCC1CC(CN)(Nc2ccc(Br)cc2)CCO1
InChIInChI=1S/C14H21BrN2O/c1-2-13-9-14(10-16,7-8-18-13)17-12-5-3-11(15)4-6-12/h3-6,13,17H,2,7-10,16H2,1H3
InChIKeyCLQQIYIWWJMUFZ-UHFFFAOYSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
4-(aminomethyl)-N-benzyl-2-ethyloxan-4-amine
CID 65384007
N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
CID 79521267
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
CID 114839078
4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine
CID 65377700
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-4-bromoaniline
CID 65385986
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine (CID 65385977) is 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine is CCC1CC(CN)(Nc2ccc(Br)cc2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine?
The InChIKey is CLQQIYIWWJMUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-13-9-14(10-16,7-8-18-13)17-12-5-3-11(15)4-6-12/h3-6,13,17H,2,7-10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine?
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine has a molecular weight of 313.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine is sourced from PubChem (CID 65385977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).