3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea

C15H25N3O — CID 61341488

IUPAC3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C15H25N3O/c1-4-5-6-11-18(3)15(19)17-14-9-7-13(8-10-14)12(2)16/h7-10,12H,4-6,11,16H2,1-3H3,(H,17,19)
InChIKeySFWLAOKHBAQZRQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.36
Rot. Bonds6

About 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea

3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea (PubChem CID 61341488) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
PubChem CID61341488
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
SMILESCCCCCN(C)C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C15H25N3O/c1-4-5-6-11-18(3)15(19)17-14-9-7-13(8-10-14)12(2)16/h7-10,12H,4-6,11,16H2,1-3H3,(H,17,19)
InChIKeySFWLAOKHBAQZRQ-UHFFFAOYSA-N
XLogP3.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
N-[4-(1-aminoethyl)phenyl]nonanamide
CID 65449674
3-[4-(1-aminoethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 61341512
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772899
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 61342243
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea?
The IUPAC name of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea (CID 61341488) is 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea.
What is the SMILES notation for 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea?
The canonical SMILES for 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea is CCCCCN(C)C(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea?
The InChIKey is SFWLAOKHBAQZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-6-11-18(3)15(19)17-14-9-7-13(8-10-14)12(2)16/h7-10,12H,4-6,11,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea?
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea has a molecular weight of 263.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea is sourced from PubChem (CID 61341488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).