N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine

C16H24BrNO — CID 115787438

IUPACN-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)C1CCOC1C
InChIInChI=1S/C16H24BrNO/c1-3-9-18-16(14-8-10-19-12(14)2)11-13-6-4-5-7-15(13)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeyBGZYRUNUMPPPMG-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 115787438) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID115787438
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)C1CCOC1C
InChIInChI=1S/C16H24BrNO/c1-3-9-18-16(14-8-10-19-12(14)2)11-13-6-4-5-7-15(13)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeyBGZYRUNUMPPPMG-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104998263
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(4-bromo-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79758101

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (CID 115787438) is N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)C1CCOC1C.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is BGZYRUNUMPPPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-9-18-16(14-8-10-19-12(14)2)11-13-6-4-5-7-15(13)17/h4-7,12,14,16,18H,3,8-11H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115787438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).