4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline

C18H23BrN2 — CID 43182464

IUPAC4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline
SMILESCCC(NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-4-18(15-7-9-16(19)10-8-15)20-13-14-5-11-17(12-6-14)21(2)3/h5-12,18,20H,4,13H2,1-3H3
InChIKeyVGXBGSDWFKVHSA-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.76
Rot. Bonds6

About 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline

4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline (PubChem CID 43182464) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline
PubChem CID43182464
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline
SMILESCCC(NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-4-18(15-7-9-16(19)10-8-15)20-13-14-5-11-17(12-6-14)21(2)3/h5-12,18,20H,4,13H2,1-3H3
InChIKeyVGXBGSDWFKVHSA-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine
CID 43804336
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105181081
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 60664059
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline (CID 43182464) is 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline is CCC(NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline?
The InChIKey is VGXBGSDWFKVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-18(15-7-9-16(19)10-8-15)20-13-14-5-11-17(12-6-14)21(2)3/h5-12,18,20H,4,13H2,1-3H3.
What are the key properties of 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline?
4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline has a molecular weight of 347.30 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 43182464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).