1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine

C14H20BrNO2 — CID 103546390

IUPAC1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Br)CC1OCCO1
InChIInChI=1S/C14H20BrNO2/c1-2-16-12(10-14-17-7-8-18-14)9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyWACSIDUCJBSTPL-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.73
Rot. Bonds6

About 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine

1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine (PubChem CID 103546390) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
PubChem CID103546390
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccccc1Br)CC1OCCO1
InChIInChI=1S/C14H20BrNO2/c1-2-16-12(10-14-17-7-8-18-14)9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyWACSIDUCJBSTPL-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66144284
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474584
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
2-[(2-bromophenyl)methyl]-1,3-dioxolane
CID 2756954
1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642980

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine (CID 103546390) is 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine is CCNC(Cc1ccccc1Br)CC1OCCO1.
What is the InChIKey of 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine?
The InChIKey is WACSIDUCJBSTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-16-12(10-14-17-7-8-18-14)9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine?
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine has a molecular weight of 314.22 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 103546390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).