N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine

C17H19NO2 — CID 100620908

IUPACN-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine
SMILESc1ccc(C(NCC2OCCO2)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)18-13-16-19-11-12-20-16/h1-10,16-18H,11-13H2
InChIKeyBBWXVKNTTQKOBY-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.74
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine

N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine (PubChem CID 100620908) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine
PubChem CID100620908
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine
SMILESc1ccc(C(NCC2OCCO2)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)18-13-16-19-11-12-20-16/h1-10,16-18H,11-13H2
InChIKeyBBWXVKNTTQKOBY-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine
CID 75504500
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
CID 43196282
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol
CID 103949202
2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane
CID 14982487
1,1-diphenyl-N-(thian-2-ylmethyl)methanamine
CID 80594842
N'-benzhydrylmethanediamine
CID 142515957
(NE)-N-[(2S)-3-(1,3-dioxolan-2-yl)-2-phenylpropylidene]hydroxylamine
CID 177384870
2-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 102198960
N-(1,3-dioxan-2-ylmethyl)aniline
CID 102849692
N-benzhydrylethanamine;ethane
CID 142974710

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine (CID 100620908) is N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine is c1ccc(C(NCC2OCCO2)c2ccccc2)cc1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine?
The InChIKey is BBWXVKNTTQKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)18-13-16-19-11-12-20-16/h1-10,16-18H,11-13H2.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine?
N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine has a molecular weight of 269.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine is sourced from PubChem (CID 100620908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).