N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine

C14H20BrNO — CID 63711588

IUPACN-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCOCC1
InChIInChI=1S/C14H20BrNO/c1-16(10-12-5-7-17-8-6-12)11-13-3-2-4-14(15)9-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyDQTMTJKKTBMVSM-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.31
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine

N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 63711588) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID63711588
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCOCC1
InChIInChI=1S/C14H20BrNO/c1-16(10-12-5-7-17-8-6-12)11-13-3-2-4-14(15)9-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyDQTMTJKKTBMVSM-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride
CID 120849541
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
CID 97160402
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786847

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine (CID 63711588) is N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine is CN(Cc1cccc(Br)c1)CC1CCOCC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is DQTMTJKKTBMVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-16(10-12-5-7-17-8-6-12)11-13-3-2-4-14(15)9-13/h2-4,9,12H,5-8,10-11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine?
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 298.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 63711588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).