N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline

C21H20Cl2N2 — CID 118713777

IUPACN-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline
SMILESClc1ccc(N(Cc2ccc3ccccc3c2)CC2CNC2)cc1Cl
InChIInChI=1S/C21H20Cl2N2/c22-20-8-7-19(10-21(20)23)25(14-16-11-24-12-16)13-15-5-6-17-3-1-2-4-18(17)9-15/h1-10,16,24H,11-14H2
InChIKeyVVBWHGPWDKYRIZ-UHFFFAOYSA-N
MW371.31 g/mol
LogP5.37
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline

N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 118713777) has the molecular formula C21H20Cl2N2 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline
PubChem CID118713777
Molecular FormulaC21H20Cl2N2
Molecular Weight371.31 g/mol
Exact Mass370.10
IUPAC NameN-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline
SMILESClc1ccc(N(Cc2ccc3ccccc3c2)CC2CNC2)cc1Cl
InChIInChI=1S/C21H20Cl2N2/c22-20-8-7-19(10-21(20)23)25(14-16-11-24-12-16)13-15-5-6-17-3-1-2-4-18(17)9-15/h1-10,16,24H,11-14H2
InChIKeyVVBWHGPWDKYRIZ-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-ylmethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 118713774
N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
CID 118713806
N-(3,4-dichlorophenyl)-N-(2-phenylethyl)azetidin-3-amine
CID 118713762
N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine
CID 118713763
N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
CID 118713766
N-(azetidin-3-ylmethyl)-N-benzyl-3,4-dichloroaniline
CID 118713776
N-(azetidin-3-ylmethyl)-3,4-dichloro-N-[(4-chlorophenyl)methyl]aniline
CID 118713778
4-chloro-N-[(4-fluorophenyl)-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]aniline
CID 19771990
N-[(3,4-dichlorophenyl)-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-4-fluoroaniline
CID 70099026
N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 118713784
3,4-Dichloro-N-[2-naphthylmethyl]aniline
CID 588108
3,4-dichloro-N-(1-naphthalen-2-ylbut-3-enyl)aniline
CID 101416887

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline (CID 118713777) is N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline is Clc1ccc(N(Cc2ccc3ccccc3c2)CC2CNC2)cc1Cl.
What is the InChIKey of N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is VVBWHGPWDKYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2/c22-20-8-7-19(10-21(20)23)25(14-16-11-24-12-16)13-15-5-6-17-3-1-2-4-18(17)9-15/h1-10,16,24H,11-14H2.
What are the key properties of N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline?
N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline has a molecular weight of 371.31 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 118713777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).