formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine

C13H21NO — CID 143158010

IUPACformaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
SMILESC=O.Cc1cccc(CN(C)C(C)C)c1
InChIInChI=1S/C12H19N.CH2O/c1-10(2)13(4)9-12-7-5-6-11(3)8-12;1-2/h5-8,10H,9H2,1-4H3;1H2
InChIKeyCVQMVMMJUAMYSN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.65
Rot. Bonds3

About formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine

formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine (PubChem CID 143158010) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Nameformaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
PubChem CID143158010
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameformaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
SMILESC=O.Cc1cccc(CN(C)C(C)C)c1
InChIInChI=1S/C12H19N.CH2O/c1-10(2)13(4)9-12-7-5-6-11(3)8-12;1-2/h5-8,10H,9H2,1-4H3;1H2
InChIKeyCVQMVMMJUAMYSN-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864
2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61414435
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 62031336
3-[methyl-[(3-methylphenyl)methyl]amino]-3-phenylpropanoic acid
CID 63074046
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine?
The IUPAC name of formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine (CID 143158010) is formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine is C=O.Cc1cccc(CN(C)C(C)C)c1.
What is the InChIKey of formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine?
The InChIKey is CVQMVMMJUAMYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.CH2O/c1-10(2)13(4)9-12-7-5-6-11(3)8-12;1-2/h5-8,10H,9H2,1-4H3;1H2.
What are the key properties of formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine?
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 143158010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).