2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine

C18H28BrNO — CID 103138259

IUPAC2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Br)cc1)CC1CCC(C)O1
InChIInChI=1S/C18H28BrNO/c1-13(2)20-12-16(11-18-9-4-14(3)21-18)10-15-5-7-17(19)8-6-15/h5-8,13-14,16,18,20H,4,9-12H2,1-3H3
InChIKeyRSLYXSXCYKIBNB-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.56
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine

2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 103138259) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID103138259
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Br)cc1)CC1CCC(C)O1
InChIInChI=1S/C18H28BrNO/c1-13(2)20-12-16(11-18-9-4-14(3)21-18)10-15-5-7-17(19)8-6-15/h5-8,13-14,16,18,20H,4,9-12H2,1-3H3
InChIKeyRSLYXSXCYKIBNB-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138163
2-[(4-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323210
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
2-[(4-chlorophenyl)methyl]-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62515572
2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 63523515
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138315
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466
2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142494

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine (CID 103138259) is 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccc(Br)cc1)CC1CCC(C)O1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is RSLYXSXCYKIBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-13(2)20-12-16(11-18-9-4-14(3)21-18)10-15-5-7-17(19)8-6-15/h5-8,13-14,16,18,20H,4,9-12H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine?
2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103138259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).