N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine

C14H21BrN2O — CID 135042570

IUPACN-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCC(CNCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C14H21BrN2O/c1-12(17-6-8-18-9-7-17)10-16-11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3
InChIKeyKXNMFJIGGYTEHX-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.26
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine

N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 135042570) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID135042570
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCC(CNCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C14H21BrN2O/c1-12(17-6-8-18-9-7-17)10-16-11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3
InChIKeyKXNMFJIGGYTEHX-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine (CID 135042570) is N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine is CC(CNCc1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is KXNMFJIGGYTEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-12(17-6-8-18-9-7-17)10-16-11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine?
N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 313.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 135042570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).