4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline

C16H19BrN2 — CID 107079644

IUPAC4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCc1cc(CBr)ccc1N(C)CCc1ccccn1
InChIInChI=1S/C16H19BrN2/c1-13-11-14(12-17)6-7-16(13)19(2)10-8-15-5-3-4-9-18-15/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyONXVGJALDHVPTN-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.96
Rot. Bonds5

About 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline

4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 107079644) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID107079644
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCc1cc(CBr)ccc1N(C)CCc1ccccn1
InChIInChI=1S/C16H19BrN2/c1-13-11-14(12-17)6-7-16(13)19(2)10-8-15-5-3-4-9-18-15/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyONXVGJALDHVPTN-UHFFFAOYSA-N
XLogP3.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
CID 62121542
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
4-(bromomethyl)-N,2-dimethyl-N-pentylaniline
CID 107080122
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 81146369
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
N,3-dimethyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80629000
4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110096
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline (CID 107079644) is 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline is Cc1cc(CBr)ccc1N(C)CCc1ccccn1.
What is the InChIKey of 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is ONXVGJALDHVPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-13-11-14(12-17)6-7-16(13)19(2)10-8-15-5-3-4-9-18-15/h3-7,9,11H,8,10,12H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 319.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 107079644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).