N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine

C17H25Cl2NO — CID 107309845

IUPACN-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1OCCC1(CNC(C)(C)C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H25Cl2NO/c1-12-17(8-9-21-12,11-20-16(2,3)4)10-13-6-5-7-14(18)15(13)19/h5-7,12,20H,8-11H2,1-4H3
InChIKeyBCQYOUYDDXBCRA-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.72
Rot. Bonds4

About N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107309845) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID107309845
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC NameN-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1OCCC1(CNC(C)(C)C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H25Cl2NO/c1-12-17(8-9-21-12,11-20-16(2,3)4)10-13-6-5-7-14(18)15(13)19/h5-7,12,20H,8-11H2,1-4H3
InChIKeyBCQYOUYDDXBCRA-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534984
N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534792
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 105408565
N-[[3-[(2,6-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534364
3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
CID 107310849
2-methyl-N-[[2-methyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
CID 114535055
2-methyl-N-[[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535006
2-methyl-N-[[2-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114534992
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 102859004
N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62905045
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 107309845) is N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is CC1OCCC1(CNC(C)(C)C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BCQYOUYDDXBCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-12-17(8-9-21-12,11-20-16(2,3)4)10-13-6-5-7-14(18)15(13)19/h5-7,12,20H,8-11H2,1-4H3.
What are the key properties of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 330.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107309845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).