N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

C15H22ClNO — CID 79928164

IUPACN-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCc2cccc(Cl)c2)C(C)(C)O1
InChIInChI=1S/C15H22ClNO/c1-14(2)9-13(15(3,4)18-14)17-10-11-6-5-7-12(16)8-11/h5-8,13,17H,9-10H2,1-4H3
InChIKeyNJVYTYCFQKOBNQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.78
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79928164) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79928164
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCc2cccc(Cl)c2)C(C)(C)O1
InChIInChI=1S/C15H22ClNO/c1-14(2)9-13(15(3,4)18-14)17-10-11-6-5-7-12(16)8-11/h5-8,13,17H,9-10H2,1-4H3
InChIKeyNJVYTYCFQKOBNQ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 79928053
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pyridin-2-amine
CID 136535179
2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622806
2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 79911059
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
2,2,5,5-tetramethyl-N-[(6-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 79928608
(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
CID 97102338
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632685
1-N,2-N-bis[(3-chlorophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040602
2,2,5,5-tetramethyl-N-[(2-methyl-3-nitrophenyl)methyl]oxolan-3-amine
CID 104927068

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79928164) is N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCc2cccc(Cl)c2)C(C)(C)O1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is NJVYTYCFQKOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-14(2)9-13(15(3,4)18-14)17-10-11-6-5-7-12(16)8-11/h5-8,13,17H,9-10H2,1-4H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 267.80 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79928164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).