1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C16H25NO3 — CID 103743600

IUPAC1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCOc1cc(CNCC2(C)CCOCC2)cc(OC)c1
InChIInChI=1S/C16H25NO3/c1-16(4-6-20-7-5-16)12-17-11-13-8-14(18-2)10-15(9-13)19-3/h8-10,17H,4-7,11-12H2,1-3H3
InChIKeyQOXHQCACZSFNJF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 103743600) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID103743600
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCOc1cc(CNCC2(C)CCOCC2)cc(OC)c1
InChIInChI=1S/C16H25NO3/c1-16(4-6-20-7-5-16)12-17-11-13-8-14(18-2)10-15(9-13)19-3/h8-10,17H,4-7,11-12H2,1-3H3
InChIKeyQOXHQCACZSFNJF-UHFFFAOYSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
CID 103743629
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
1-(3-methoxy-5-nitrophenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 81154711
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
CID 103923521
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 103743600) is 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is COc1cc(CNCC2(C)CCOCC2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is QOXHQCACZSFNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(4-6-20-7-5-16)12-17-11-13-8-14(18-2)10-15(9-13)19-3/h8-10,17H,4-7,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 103743600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).