4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline

C14H21ClN2 — CID 81165762

IUPAC4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C2CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-3-11(16)8-10-4-7-14(13(15)9-10)17(2)12-5-6-12/h4,7,9,11-12H,3,5-6,8,16H2,1-2H3
InChIKeyQRIOIPJAPCTYPA-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.22
Rot. Bonds5

About 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline

4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline (PubChem CID 81165762) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
PubChem CID81165762
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C2CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-3-11(16)8-10-4-7-14(13(15)9-10)17(2)12-5-6-12/h4,7,9,11-12H,3,5-6,8,16H2,1-2H3
InChIKeyQRIOIPJAPCTYPA-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81159789
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81166154
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 81165724
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81159206
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline?
The IUPAC name of 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline (CID 81165762) is 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline?
The canonical SMILES for 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline is CCC(N)Cc1ccc(N(C)C2CC2)c(Cl)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline?
The InChIKey is QRIOIPJAPCTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-11(16)8-10-4-7-14(13(15)9-10)17(2)12-5-6-12/h4,7,9,11-12H,3,5-6,8,16H2,1-2H3.
What are the key properties of 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline?
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline is sourced from PubChem (CID 81165762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).