N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine

C14H22BrNO — CID 55068348

IUPACN-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1OCCC
InChIInChI=1S/C14H22BrNO/c1-4-8-16-11(3)13-10-12(15)6-7-14(13)17-9-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyFBRNSBUZYAEFLO-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.30
Rot. Bonds7

About N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine

N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine (PubChem CID 55068348) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
PubChem CID55068348
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1OCCC
InChIInChI=1S/C14H22BrNO/c1-4-8-16-11(3)13-10-12(15)6-7-14(13)17-9-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyFBRNSBUZYAEFLO-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromo-2-butoxyphenyl)ethyl]propan-1-amine
CID 63500692
N-[1-[5-bromo-2-(3,3-dimethylbutoxy)phenyl]ethyl]propan-1-amine
CID 63500522
N-[1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethyl]propan-1-amine
CID 64553534
3-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114491939
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036
1-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211126
3-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79621031
N-[1-[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 82976250
N-[1-[5-bromo-2-(oxan-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62386930
N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62393061
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine (CID 55068348) is N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine is CCCNC(C)c1cc(Br)ccc1OCCC.
What is the InChIKey of N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine?
The InChIKey is FBRNSBUZYAEFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-8-16-11(3)13-10-12(15)6-7-14(13)17-9-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine?
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 55068348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).