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

C17H27BrN2O — CID 43102123

IUPACN-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H27BrN2O/c1-14(2)11-17(20-7-9-21-10-8-20)13-19-12-15-3-5-16(18)6-4-15/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyHGPONKRKXSCOJK-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.29
Rot. Bonds7

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

N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (PubChem CID 43102123) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
PubChem CID43102123
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNCc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H27BrN2O/c1-14(2)11-17(20-7-9-21-10-8-20)13-19-12-15-3-5-16(18)6-4-15/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyHGPONKRKXSCOJK-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.29
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]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (CID 43102123) is N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is CC(C)CC(CNCc1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The InChIKey is HGPONKRKXSCOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-14(2)11-17(20-7-9-21-10-8-20)13-19-12-15-3-5-16(18)6-4-15/h3-6,14,17,19H,7-13H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 43102123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).