N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline

C18H23BrN2 — CID 63553389

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-14(2)20-12-16-6-4-5-7-18(16)21(3)13-15-8-10-17(19)11-9-15/h4-11,14,20H,12-13H2,1-3H3
InChIKeyMEDSVYNXSRGHGU-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.58
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline

N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 63553389) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID63553389
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-14(2)20-12-16-6-4-5-7-18(16)21(3)13-15-8-10-17(19)11-9-15/h4-11,14,20H,12-13H2,1-3H3
InChIKeyMEDSVYNXSRGHGU-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415401
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287320
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline (CID 63553389) is N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1ccccc1N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is MEDSVYNXSRGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-14(2)20-12-16-6-4-5-7-18(16)21(3)13-15-8-10-17(19)11-9-15/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 347.30 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63553389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).