4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

C17H29ClN2 — CID 81166458

IUPAC4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-7-14(19)10-13-8-9-16(15(18)11-13)20(6)12(2)17(3,4)5/h8-9,11-12,14H,7,10,19H2,1-6H3
InChIKeyDZAZMZLNINQQFB-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.49
Rot. Bonds5

About 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (PubChem CID 81166458) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
PubChem CID81166458
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-7-14(19)10-13-8-9-16(15(18)11-13)20(6)12(2)17(3,4)5/h8-9,11-12,14H,7,10,19H2,1-6H3
InChIKeyDZAZMZLNINQQFB-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-methyl-N-(2-methylbutyl)aniline
CID 81166065
4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 63794551
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
4-[(tert-butylamino)methyl]-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81143688
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
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
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
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
2-chloro-N-(3,3-dimethylbutan-2-yl)-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 63533449
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-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The IUPAC name of 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (CID 81166458) is 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The canonical SMILES for 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline is CCC(N)Cc1ccc(N(C)C(C)C(C)(C)C)c(Cl)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The InChIKey is DZAZMZLNINQQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-7-14(19)10-13-8-9-16(15(18)11-13)20(6)12(2)17(3,4)5/h8-9,11-12,14H,7,10,19H2,1-6H3.
What are the key properties of 4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline has a molecular weight of 296.89 g/mol, XLogP of 4.49, 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-(3,3-dimethylbutan-2-yl)-N-methylaniline is sourced from PubChem (CID 81166458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).