N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine

C14H22BrNO — CID 82825259

IUPACN-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine
SMILESCCCCNCC(C)OCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-4-9-16-10-12(2)17-11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeySPANYHNPKBXIIB-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.74
Rot. Bonds8

About N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine

N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine (PubChem CID 82825259) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine
PubChem CID82825259
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine
SMILESCCCCNCC(C)OCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-4-9-16-10-12(2)17-11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeySPANYHNPKBXIIB-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]butan-1-amine
CID 156653083
N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
CID 63506414
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
CID 82825959
4-[(4-bromophenyl)methoxy]pentan-1-amine
CID 82831924
N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
CID 62564799
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 82828085
N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
CID 82009434
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine?
The IUPAC name of N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine (CID 82825259) is N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine?
The canonical SMILES for N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine is CCCCNCC(C)OCc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine?
The InChIKey is SPANYHNPKBXIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-4-9-16-10-12(2)17-11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine?
N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methoxy]propyl]butan-1-amine is sourced from PubChem (CID 82825259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).