N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine

C14H20BrNO — CID 43494552

IUPACN-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C14H20BrNO/c1-2-9-16-14(13-4-3-10-17-13)11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3
InChIKeyUYVHBTZDTWMUSP-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.67
Rot. Bonds5

About N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine

N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 43494552) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
PubChem CID43494552
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)C1CCCO1
InChIInChI=1S/C14H20BrNO/c1-2-9-16-14(13-4-3-10-17-13)11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3
InChIKeyUYVHBTZDTWMUSP-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
(2R)-2-[[(S)-(4-bromophenyl)-[(2S)-oxolan-2-yl]methyl]amino]propan-1-ol
CID 99852159
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147
N-[(4-bromophenyl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107177481

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine (CID 43494552) is N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)C1CCCO1.
What is the InChIKey of N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is UYVHBTZDTWMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-9-16-14(13-4-3-10-17-13)11-5-7-12(15)8-6-11/h5-8,13-14,16H,2-4,9-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine?
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43494552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).