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

C17H26BrNO — CID 114534984

IUPACN-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1OCCC1(CNC(C)(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C17H26BrNO/c1-13-17(8-9-20-13,12-19-16(2,3)4)11-14-6-5-7-15(18)10-14/h5-7,10,13,19H,8-9,11-12H2,1-4H3
InChIKeyNDELOOVRPBGBRC-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.17
Rot. Bonds4

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

N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114534984) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID114534984
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1OCCC1(CNC(C)(C)C)Cc1cccc(Br)c1
InChIInChI=1S/C17H26BrNO/c1-13-17(8-9-20-13,12-19-16(2,3)4)11-14-6-5-7-15(18)10-14/h5-7,10,13,19H,8-9,11-12H2,1-4H3
InChIKeyNDELOOVRPBGBRC-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 105408565
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107309845
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
2-methyl-N-[[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535006
N-[[2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-yl]methyl]ethanamine
CID 114534318
N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534620
3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
CID 114534749
2-methyl-N-[[2-methyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
CID 114535055
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
2-methyl-N-[[2-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114534992
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 114534984) is N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is CC1OCCC1(CNC(C)(C)C)Cc1cccc(Br)c1.
What is the InChIKey of N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NDELOOVRPBGBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13-17(8-9-20-13,12-19-16(2,3)4)11-14-6-5-7-15(18)10-14/h5-7,10,13,19H,8-9,11-12H2,1-4H3.
What are the key properties of N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114534984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).