N-[bis(4-chlorophenyl)methyl]azetidin-3-amine

C16H16Cl2N2 — CID 154046596

IUPACN-[bis(4-chlorophenyl)methyl]azetidin-3-amine
SMILESClc1ccc(C(NC2CNC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16Cl2N2/c17-13-5-1-11(2-6-13)16(20-15-9-19-10-15)12-3-7-14(18)8-4-12/h1-8,15-16,19-20H,9-10H2
InChIKeyHMMWYLLKRYRXLR-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.64
Rot. Bonds4

About N-[bis(4-chlorophenyl)methyl]azetidin-3-amine

N-[bis(4-chlorophenyl)methyl]azetidin-3-amine (PubChem CID 154046596) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)methyl]azetidin-3-amine
PubChem CID154046596
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC NameN-[bis(4-chlorophenyl)methyl]azetidin-3-amine
SMILESClc1ccc(C(NC2CNC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16Cl2N2/c17-13-5-1-11(2-6-13)16(20-15-9-19-10-15)12-3-7-14(18)8-4-12/h1-8,15-16,19-20H,9-10H2
InChIKeyHMMWYLLKRYRXLR-UHFFFAOYSA-N
XLogP3.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
CID 117067004
3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine
CID 71516194
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
(3aR,6aS)-5-[1-(4-chlorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042222
5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
CID 63662235
3-[(4-chlorophenyl)-phenylmethoxy]azetidine
CID 131865154
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
CID 56672780
[(4-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192695
1-(4-chlorophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481387
N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine
CID 22111110

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)methyl]azetidin-3-amine?
The IUPAC name of N-[bis(4-chlorophenyl)methyl]azetidin-3-amine (CID 154046596) is N-[bis(4-chlorophenyl)methyl]azetidin-3-amine.
What is the SMILES notation for N-[bis(4-chlorophenyl)methyl]azetidin-3-amine?
The canonical SMILES for N-[bis(4-chlorophenyl)methyl]azetidin-3-amine is Clc1ccc(C(NC2CNC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[bis(4-chlorophenyl)methyl]azetidin-3-amine?
The InChIKey is HMMWYLLKRYRXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-13-5-1-11(2-6-13)16(20-15-9-19-10-15)12-3-7-14(18)8-4-12/h1-8,15-16,19-20H,9-10H2.
What are the key properties of N-[bis(4-chlorophenyl)methyl]azetidin-3-amine?
N-[bis(4-chlorophenyl)methyl]azetidin-3-amine has a molecular weight of 307.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-chlorophenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 154046596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).