2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine

C18H28BrNO — CID 65165923

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCCNCC(CCCC1CCCO1)Cc1ccccc1Br
InChIInChI=1S/C18H28BrNO/c1-2-20-14-15(7-5-9-17-10-6-12-21-17)13-16-8-3-4-11-18(16)19/h3-4,8,11,15,17,20H,2,5-7,9-10,12-14H2,1H3
InChIKeyMMEGBFCBGKDWBZ-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.57
Rot. Bonds9

About 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine

2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 65165923) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
PubChem CID65165923
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCCNCC(CCCC1CCCO1)Cc1ccccc1Br
InChIInChI=1S/C18H28BrNO/c1-2-20-14-15(7-5-9-17-10-6-12-21-17)13-16-8-3-4-11-18(16)19/h3-4,8,11,15,17,20H,2,5-7,9-10,12-14H2,1H3
InChIKeyMMEGBFCBGKDWBZ-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
2-[(2-bromophenyl)methyl]-N-ethyl-5-methylhexan-1-amine
CID 63520892
2-[4-(bromomethyl)-5-(2-methoxyphenyl)pentyl]oxolane
CID 66042561
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66049471
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
N-(2-methylpropyl)-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 65166550
2-[4-(2-bromophenyl)-5-chloropentyl]oxolane
CID 79454100

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine (CID 65165923) is 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine is CCNCC(CCCC1CCCO1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is MMEGBFCBGKDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-2-20-14-15(7-5-9-17-10-6-12-21-17)13-16-8-3-4-11-18(16)19/h3-4,8,11,15,17,20H,2,5-7,9-10,12-14H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine?
2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 65165923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).