N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine

C21H27NO — CID 119153366

IUPACN-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
SMILESCC(NCC1CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-17(22-16-18-12-14-23-15-13-18)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,17-18,21-22H,12-16H2,1H3
InChIKeyLDNQOACOUSMXCU-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.22
Rot. Bonds6

About N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine

N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine (PubChem CID 119153366) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
PubChem CID119153366
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
SMILESCC(NCC1CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-17(22-16-18-12-14-23-15-13-18)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,17-18,21-22H,12-16H2,1H3
InChIKeyLDNQOACOUSMXCU-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
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(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
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N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N-(1-phenylethyl)oxan-4-amine
CID 43608319
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198
4-(3-chloro-2-methyl-3-phenylpropyl)oxane
CID 104846457
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
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CID 113259795

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine (CID 119153366) is N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine is CC(NCC1CCOCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine?
The InChIKey is LDNQOACOUSMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(22-16-18-12-14-23-15-13-18)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,17-18,21-22H,12-16H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine?
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine has a molecular weight of 309.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine is sourced from PubChem (CID 119153366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).