4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

C17H23ClN2O — CID 81159206

IUPAC4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccc(N(C)Cc2ccc(C)o2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O/c1-4-14(19)9-13-6-8-17(16(18)10-13)20(3)11-15-7-5-12(2)21-15/h5-8,10,14H,4,9,11,19H2,1-3H3
InChIKeyAMAWRCITSNEYML-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.16
Rot. Bonds6

About 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 81159206) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID81159206
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccc(N(C)Cc2ccc(C)o2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O/c1-4-14(19)9-13-6-8-17(16(18)10-13)20(3)11-15-7-5-12(2)21-15/h5-8,10,14H,4,9,11,19H2,1-3H3
InChIKeyAMAWRCITSNEYML-UHFFFAOYSA-N
XLogP4.16
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81165610
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
CID 62907848
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 81165724
4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
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-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,N-bis(cyclopropylmethyl)aniline
CID 81159789
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
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-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (CID 81159206) is 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline is CCC(N)Cc1ccc(N(C)Cc2ccc(C)o2)c(Cl)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is AMAWRCITSNEYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-4-14(19)9-13-6-8-17(16(18)10-13)20(3)11-15-7-5-12(2)21-15/h5-8,10,14H,4,9,11,19H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 306.84 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 81159206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).