1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea

C12H19N3O — CID 62104342

IUPAC1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C12H19N3O/c1-3-6-14-12(16)15-11-7-10(8-13)5-4-9(11)2/h4-5,7H,3,6,8,13H2,1-2H3,(H2,14,15,16)
InChIKeyDHBNJBHVYGMIQV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.99
Rot. Bonds4

About 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea

1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea (PubChem CID 62104342) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
PubChem CID62104342
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C12H19N3O/c1-3-6-14-12(16)15-11-7-10(8-13)5-4-9(11)2/h4-5,7H,3,6,8,13H2,1-2H3,(H2,14,15,16)
InChIKeyDHBNJBHVYGMIQV-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea
CID 82507372
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
N-[5-(aminomethyl)-2-methylphenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475489
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
1-(2,4-diethylphenyl)-3-propylurea
CID 23348909
N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
CID 62104870
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103017435
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea?
The IUPAC name of 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea (CID 62104342) is 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea.
What is the SMILES notation for 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea?
The canonical SMILES for 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea is CCCNC(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea?
The InChIKey is DHBNJBHVYGMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-14-12(16)15-11-7-10(8-13)5-4-9(11)2/h4-5,7H,3,6,8,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea?
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea has a molecular weight of 221.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea is sourced from PubChem (CID 62104342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).