3,4-dichloro-N-(4-phenylbutan-2-yl)aniline

C16H17Cl2N — CID 43110414

IUPAC3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
SMILESCC(CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-12(7-8-13-5-3-2-4-6-13)19-14-9-10-15(17)16(18)11-14/h2-6,9-12,19H,7-8H2,1H3
InChIKeyCDIRPDBKXRRTMK-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.43
Rot. Bonds5

About 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline

3,4-dichloro-N-(4-phenylbutan-2-yl)aniline (PubChem CID 43110414) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
PubChem CID43110414
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
SMILESCC(CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-12(7-8-13-5-3-2-4-6-13)19-14-9-10-15(17)16(18)11-14/h2-6,9-12,19H,7-8H2,1H3
InChIKeyCDIRPDBKXRRTMK-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949
2-chloro-4-[4-(3-methylphenyl)butan-2-ylamino]phenol
CID 107678447
tert-butyl N-benzyl-N-[3-(3,4-dichloroanilino)butyl]carbamate
CID 70963514
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
4-[3-(4-bromo-3-chloroanilino)butyl]phenol
CID 107618811
3-ethynyl-N-(4-phenylbutan-2-yl)aniline
CID 43095441
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049
2-methyl-4-(4-phenylbutan-2-ylamino)benzenecarbothioamide
CID 81269794

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline (CID 43110414) is 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline is CC(CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is CDIRPDBKXRRTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-12(7-8-13-5-3-2-4-6-13)19-14-9-10-15(17)16(18)11-14/h2-6,9-12,19H,7-8H2,1H3.
What are the key properties of 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline?
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 294.23 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 43110414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).