4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline

C17H29ClN2 — CID 81165942

IUPAC4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCCC(N)Cc1ccc(N(CC(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-6-15(19)9-14-7-8-17(16(18)10-14)20(13(4)5)11-12(2)3/h7-8,10,12-13,15H,6,9,11,19H2,1-5H3
InChIKeyLBMGVXVMPONQEC-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.49
Rot. Bonds7

About 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline

4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline (PubChem CID 81165942) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
PubChem CID81165942
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCCC(N)Cc1ccc(N(CC(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-6-15(19)9-14-7-8-17(16(18)10-14)20(13(4)5)11-12(2)3/h7-8,10,12-13,15H,6,9,11,19H2,1-5H3
InChIKeyLBMGVXVMPONQEC-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.49
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-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 81152681
4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81159789
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 81165724
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline (CID 81165942) is 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline is CCC(N)Cc1ccc(N(CC(C)C)C(C)C)c(Cl)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline?
The InChIKey is LBMGVXVMPONQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-6-15(19)9-14-7-8-17(16(18)10-14)20(13(4)5)11-12(2)3/h7-8,10,12-13,15H,6,9,11,19H2,1-5H3.
What are the key properties of 4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline?
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline has a molecular weight of 296.89 g/mol, XLogP of 4.49, 7 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-(2-methylpropyl)-N-propan-2-ylaniline is sourced from PubChem (CID 81165942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).