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

C16H25ClN2O — CID 62390445

IUPAC1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H25ClN2O/c1-18-12-16(6-8-20-9-7-16)13-19(2)11-14-4-3-5-15(17)10-14/h3-5,10,18H,6-9,11-13H2,1-2H3
InChIKeyMTSCWLGXJFZRNY-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.79
Rot. Bonds6

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

1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine (PubChem CID 62390445) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
PubChem CID62390445
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H25ClN2O/c1-18-12-16(6-8-20-9-7-16)13-19(2)11-14-4-3-5-15(17)10-14/h3-5,10,18H,6-9,11-13H2,1-2H3
InChIKeyMTSCWLGXJFZRNY-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260904
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
3-[[(3-chlorophenyl)methyl-methylamino]methyl]oxane-3-carbaldehyde
CID 63739911
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine (CID 62390445) is 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine is CNCC1(CN(C)Cc2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine?
The InChIKey is MTSCWLGXJFZRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-18-12-16(6-8-20-9-7-16)13-19(2)11-14-4-3-5-15(17)10-14/h3-5,10,18H,6-9,11-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine?
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine has a molecular weight of 296.84 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine is sourced from PubChem (CID 62390445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).