3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine

C14H21BrN2O — CID 82717967

IUPAC3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1(CN)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11-14(10-16,6-7-18-11)17(2)9-12-4-3-5-13(15)8-12/h3-5,8,11H,6-7,9-10,16H2,1-2H3
InChIKeyKKDMBLKZHZWMQQ-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.39
Rot. Bonds4

About 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine

3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82717967) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82717967
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1(CN)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11-14(10-16,6-7-18-11)17(2)9-12-4-3-5-13(15)8-12/h3-5,8,11H,6-7,9-10,16H2,1-2H3
InChIKeyKKDMBLKZHZWMQQ-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.39
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-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 106821849
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233
3-(aminomethyl)-N,2-dimethyl-N-propyloxolan-3-amine
CID 82718601
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534984
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82718464

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine (CID 82717967) is 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1(CN)N(C)Cc1cccc(Br)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is KKDMBLKZHZWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-14(10-16,6-7-18-11)17(2)9-12-4-3-5-13(15)8-12/h3-5,8,11H,6-7,9-10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine?
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 313.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82717967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).