2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline

C14H23ClN2 — CID 63082311

IUPAC2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1cc(Cl)ccc1CN
InChIInChI=1S/C14H23ClN2/c1-10(2)7-11(3)17(4)14-8-13(15)6-5-12(14)9-16/h5-6,8,10-11H,7,9,16H2,1-4H3
InChIKeyBGXXNVBUTHWJPP-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.67
Rot. Bonds5

About 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline

2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 63082311) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID63082311
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1cc(Cl)ccc1CN
InChIInChI=1S/C14H23ClN2/c1-10(2)7-11(3)17(4)14-8-13(15)6-5-12(14)9-16/h5-6,8,10-11H,7,9,16H2,1-4H3
InChIKeyBGXXNVBUTHWJPP-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 62128610
[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
CID 114845260
5-chloro-2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 114846814
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine
CID 62494700
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
[4-chloro-2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63082490
4-chloro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657083

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline (CID 63082311) is 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)N(C)c1cc(Cl)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is BGXXNVBUTHWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-10(2)7-11(3)17(4)14-8-13(15)6-5-12(14)9-16/h5-6,8,10-11H,7,9,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline?
2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 254.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 63082311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).