N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine

C16H24BrNO — CID 63936289

IUPACN-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)C1CCOCC1
InChIInChI=1S/C16H24BrNO/c1-2-9-18-16(13-7-10-19-11-8-13)12-14-5-3-4-6-15(14)17/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyHFATXDQVXARLDU-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.79
Rot. Bonds6

About N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine

N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 63936289) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID63936289
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)C1CCOCC1
InChIInChI=1S/C16H24BrNO/c1-2-9-18-16(13-7-10-19-11-8-13)12-14-5-3-4-6-15(14)17/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyHFATXDQVXARLDU-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
3-[2-(oxan-4-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65334878
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966
N-ethyl-2-naphthalen-1-yl-1-(oxan-4-yl)ethanamine
CID 62905156
N-[(3-bromo-2-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855832
3-(2-bromophenyl)-2-(oxan-4-yl)propanoic acid
CID 79418749

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (CID 63936289) is N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)C1CCOCC1.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is HFATXDQVXARLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-9-18-16(13-7-10-19-11-8-13)12-14-5-3-4-6-15(14)17/h3-6,13,16,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.79, 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-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63936289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).