N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline

C18H22BrNO — CID 43789736

IUPACN-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
SMILESCCC(Nc1ccccc1OC(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-4-16(14-8-7-9-15(19)12-14)20-17-10-5-6-11-18(17)21-13(2)3/h5-13,16,20H,4H2,1-3H3
InChIKeyDBYPIMRZLOQDBK-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.80
Rot. Bonds6

About N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline

N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline (PubChem CID 43789736) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
PubChem CID43789736
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
SMILESCCC(Nc1ccccc1OC(C)C)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-4-16(14-8-7-9-15(19)12-14)20-17-10-5-6-11-18(17)21-13(2)3/h5-13,16,20H,4H2,1-3H3
InChIKeyDBYPIMRZLOQDBK-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline 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-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
CID 43758454
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
methyl 2-[1-(3-bromophenyl)propylamino]benzoate
CID 43774543
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline (CID 43789736) is N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline is CCC(Nc1ccccc1OC(C)C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline?
The InChIKey is DBYPIMRZLOQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-16(14-8-7-9-15(19)12-14)20-17-10-5-6-11-18(17)21-13(2)3/h5-13,16,20H,4H2,1-3H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline?
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline has a molecular weight of 348.28 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 43789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).