N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine

C13H18BrNO — CID 81354361

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
SMILESC[C@H](NC1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-10(11-2-4-12(14)5-3-11)15-13-6-8-16-9-7-13/h2-5,10,13,15H,6-9H2,1H3/t10-/m0/s1
InChIKeySCKWWNOOWMZCJL-JTQLQIEISA-N
MW284.20 g/mol
LogP3.28
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine

N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine (PubChem CID 81354361) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
PubChem CID81354361
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
SMILESC[C@H](NC1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-10(11-2-4-12(14)5-3-11)15-13-6-8-16-9-7-13/h2-5,10,13,15H,6-9H2,1H3/t10-/m0/s1
InChIKeySCKWWNOOWMZCJL-JTQLQIEISA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[(1R)-1-(4-bromophenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81353598
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730386
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
N-[(1R)-1-(4-bromophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81360031

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine (CID 81354361) is N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine is C[C@H](NC1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine?
The InChIKey is SCKWWNOOWMZCJL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(11-2-4-12(14)5-3-11)15-13-6-8-16-9-7-13/h2-5,10,13,15H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine?
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 81354361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).