ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine

C12H21NO2 — CID 142914034

IUPACethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESC=O.CC.CNCc1ccc(OC)cc1
InChIInChI=1S/C9H13NO.C2H6.CH2O/c1-10-7-8-3-5-9(11-2)6-4-8;2*1-2/h3-6,10H,7H2,1-2H3;1-2H3;1H2
InChIKeyFCWMVDYCMBJYHX-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.26
Rot. Bonds3

About ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine

ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 142914034) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Nameethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID142914034
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
SMILESC=O.CC.CNCc1ccc(OC)cc1
InChIInChI=1S/C9H13NO.C2H6.CH2O/c1-10-7-8-3-5-9(11-2)6-4-8;2*1-2/h3-6,10H,7H2,1-2H3;1-2H3;1H2
InChIKeyFCWMVDYCMBJYHX-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-iodo-1-(4-methoxyphenyl)methanamine
CID 142382613
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
CID 22965611
[(4-methoxyphenyl)methylamino]methanone;yttrium
CID 163392787
N-(hydrazinylmethyl)-1-(4-methoxyphenyl)methanamine
CID 115260736
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine (CID 142914034) is ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine is C=O.CC.CNCc1ccc(OC)cc1.
What is the InChIKey of ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is FCWMVDYCMBJYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6.CH2O/c1-10-7-8-3-5-9(11-2)6-4-8;2*1-2/h3-6,10H,7H2,1-2H3;1-2H3;1H2.
What are the key properties of ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine?
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 211.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 142914034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).