1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine

C16H26N2O — CID 116913035

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N(C)C)C2(CN)COC2)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-13-6-8-14(9-7-13)15(18(2)3)16(10-17)11-19-12-16/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyKJJQZNCHOBPXQU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds6

About 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine

1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine (PubChem CID 116913035) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
PubChem CID116913035
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N(C)C)C2(CN)COC2)cc1
InChIInChI=1S/C16H26N2O/c1-4-5-13-6-8-14(9-7-13)15(18(2)3)16(10-17)11-19-12-16/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyKJJQZNCHOBPXQU-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(4-tert-butylphenyl)ethyl]oxetan-3-yl]-N,N-dimethylmethanamine
CID 46889797
3-butoxy-1-(3-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 55095261
3-ethoxy-1-(3-fluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 55134643
3-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790895
N-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62791397
3-methoxy-N-propyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62791897
1-(3-fluoro-4-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 80202535
1-(3-fluoro-4-methylphenyl)-N,N'-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 80211429
N-ethyl-1-(3-fluoro-4-methylphenyl)-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 80211920
1-(3-fluoro-4-methylphenyl)-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 80215918
1-(3-fluoro-4-methylphenyl)-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 80217588
1-(3-fluoro-4-methylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylpropane-1,3-diamine
CID 80217749

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine (CID 116913035) is 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(N(C)C)C2(CN)COC2)cc1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine?
The InChIKey is KJJQZNCHOBPXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-13-6-8-14(9-7-13)15(18(2)3)16(10-17)11-19-12-16/h6-9,15H,4-5,10-12,17H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine?
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 116913035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).