1-[3-(3-aminopropyl)phenyl]-3-methylurea

C11H17N3O — CID 89494810

IUPAC1-[3-(3-aminopropyl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(CCCN)c1
InChIInChI=1S/C11H17N3O/c1-13-11(15)14-10-6-2-4-9(8-10)5-3-7-12/h2,4,6,8H,3,5,7,12H2,1H3,(H2,13,14,15)
InChIKeyWXBZWOREPFYVIP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.33
Rot. Bonds4

About 1-[3-(3-aminopropyl)phenyl]-3-methylurea

1-[3-(3-aminopropyl)phenyl]-3-methylurea (PubChem CID 89494810) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[3-(3-aminopropyl)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(3-aminopropyl)phenyl]-3-methylurea
PubChem CID89494810
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[3-(3-aminopropyl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(CCCN)c1
InChIInChI=1S/C11H17N3O/c1-13-11(15)14-10-6-2-4-9(8-10)5-3-7-12/h2,4,6,8H,3,5,7,12H2,1H3,(H2,13,14,15)
InChIKeyWXBZWOREPFYVIP-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-aminopropyl)phenyl]-3-butylurea
CID 113397957
1-[3-(3-aminopropyl)phenyl]-3-benzylurea
CID 107654561
1-[3-(chloromethyl)phenyl]-3-methylurea
CID 141126220
[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
CID 134123018
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 107673369
1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122453143
1-[3-[2-[benzyl(butyl)amino]ethyl]phenyl]-3-methylurea
CID 57286486
1-methyl-3-[3-[(3Z)-3-(methyliminohydrazinylidene)propyl]phenyl]urea
CID 89305821
1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
CID 66941489
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropyl)phenyl]-3-methylurea?
The IUPAC name of 1-[3-(3-aminopropyl)phenyl]-3-methylurea (CID 89494810) is 1-[3-(3-aminopropyl)phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-(3-aminopropyl)phenyl]-3-methylurea?
The canonical SMILES for 1-[3-(3-aminopropyl)phenyl]-3-methylurea is CNC(=O)Nc1cccc(CCCN)c1.
What is the InChIKey of 1-[3-(3-aminopropyl)phenyl]-3-methylurea?
The InChIKey is WXBZWOREPFYVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-11(15)14-10-6-2-4-9(8-10)5-3-7-12/h2,4,6,8H,3,5,7,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-[3-(3-aminopropyl)phenyl]-3-methylurea?
1-[3-(3-aminopropyl)phenyl]-3-methylurea has a molecular weight of 207.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropyl)phenyl]-3-methylurea is sourced from PubChem (CID 89494810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).