2-[4-(aminomethyl)-3-methylanilino]propan-1-ol

C11H18N2O — CID 81273349

IUPAC2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
SMILESCc1cc(NC(C)CO)ccc1CN
InChIInChI=1S/C11H18N2O/c1-8-5-11(13-9(2)7-14)4-3-10(8)6-12/h3-5,9,13-14H,6-7,12H2,1-2H3
InChIKeyNSKZFXRGXKKYOQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds4

About 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol

2-[4-(aminomethyl)-3-methylanilino]propan-1-ol (PubChem CID 81273349) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
PubChem CID81273349
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
SMILESCc1cc(NC(C)CO)ccc1CN
InChIInChI=1S/C11H18N2O/c1-8-5-11(13-9(2)7-14)4-3-10(8)6-12/h3-5,9,13-14H,6-7,12H2,1-2H3
InChIKeyNSKZFXRGXKKYOQ-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)anilino]propan-1-ol
CID 102813984
2-(3,4-difluoroanilino)propan-1-ol
CID 130502592
4-(aminomethyl)-3-methyl-N-propylaniline
CID 81273118
2-[4-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
CID 107274980
methyl 3-(4-ethyl-3-methylanilino)butanoate
CID 113357607
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
CID 82504711
2-[4-(aminomethyl)-3-(trifluoromethyl)anilino]-3-methylbutan-1-ol
CID 79254725
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylaniline
CID 57048374
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol (CID 81273349) is 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol is Cc1cc(NC(C)CO)ccc1CN.
What is the InChIKey of 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol?
The InChIKey is NSKZFXRGXKKYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-5-11(13-9(2)7-14)4-3-10(8)6-12/h3-5,9,13-14H,6-7,12H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol?
2-[4-(aminomethyl)-3-methylanilino]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-methylanilino]propan-1-ol is sourced from PubChem (CID 81273349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).