4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

C14H21ClN2 — CID 114064873

IUPAC4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCC1CC1CN(C)c1ccc(CCN)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-10-7-12(10)9-17(2)13-4-3-11(5-6-16)14(15)8-13/h3-4,8,10,12H,5-7,9,16H2,1-2H3
InChIKeyKXTGMFBMIDIRMH-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.93
Rot. Bonds5

About 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 114064873) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID114064873
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCC1CC1CN(C)c1ccc(CCN)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-10-7-12(10)9-17(2)13-4-3-11(5-6-16)14(15)8-13/h3-4,8,10,12H,5-7,9,16H2,1-2H3
InChIKeyKXTGMFBMIDIRMH-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 114064874
N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 114064884
2-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-4-amine
CID 63879390
4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864950
2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
CID 63879607
4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864840
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarbothioamide
CID 81277385
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63879433
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63866672
2-(1-hydroxyethyl)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]phenol
CID 79603165
4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114066213

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (CID 114064873) is 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is CC1CC1CN(C)c1ccc(CCN)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is KXTGMFBMIDIRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-7-12(10)9-17(2)13-4-3-11(5-6-16)14(15)8-13/h3-4,8,10,12H,5-7,9,16H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 114064873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).