4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline

C14H23ClN2 — CID 81165839

IUPAC4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(CC(C)N)cc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2/c1-5-17(10(2)3)14-7-6-12(8-11(4)16)9-13(14)15/h6-7,9-11H,5,8,16H2,1-4H3
InChIKeyNQJDSWBZTZADEO-UHFFFAOYSA-N
MW254.81 g/mol
LogP3.46
Rot. Bonds5

About 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline

4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline (PubChem CID 81165839) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
PubChem CID81165839
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(CC(C)N)cc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2/c1-5-17(10(2)3)14-7-6-12(8-11(4)16)9-13(14)15/h6-7,9-11H,5,8,16H2,1-4H3
InChIKeyNQJDSWBZTZADEO-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
CID 81165870
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 81165921
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
The IUPAC name of 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline (CID 81165839) is 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline is CCN(c1ccc(CC(C)N)cc1Cl)C(C)C.
What is the InChIKey of 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
The InChIKey is NQJDSWBZTZADEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-5-17(10(2)3)14-7-6-12(8-11(4)16)9-13(14)15/h6-7,9-11H,5,8,16H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline?
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline has a molecular weight of 254.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline is sourced from PubChem (CID 81165839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).