methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate

C14H23N3O2 — CID 107441699

IUPACmethyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCC(CN)C(C)C)cc1
InChIInChI=1S/C14H23N3O2/c1-10(2)11(8-15)9-16-12-4-6-13(7-5-12)17-14(18)19-3/h4-7,10-11,16H,8-9,15H2,1-3H3,(H,17,18)
InChIKeyFZZCTWPADWGLPJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.51
Rot. Bonds6

About methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate

methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate (PubChem CID 107441699) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate
PubChem CID107441699
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCC(CN)C(C)C)cc1
InChIInChI=1S/C14H23N3O2/c1-10(2)11(8-15)9-16-12-4-6-13(7-5-12)17-14(18)19-3/h4-7,10-11,16H,8-9,15H2,1-3H3,(H,17,18)
InChIKeyFZZCTWPADWGLPJ-UHFFFAOYSA-N
XLogP2.51
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenoxy]propanamide
CID 107441432
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorophenyl]carbamate
CID 107442927
N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
CID 107441669
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide
CID 107441237
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate
CID 63695809
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
tert-butyl N-[3-methyl-2-[(4-methylsulfanylanilino)methyl]butyl]carbamate
CID 107440974
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate (CID 107441699) is methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate is COC(=O)Nc1ccc(NCC(CN)C(C)C)cc1.
What is the InChIKey of methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate?
The InChIKey is FZZCTWPADWGLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)11(8-15)9-16-12-4-6-13(7-5-12)17-14(18)19-3/h4-7,10-11,16H,8-9,15H2,1-3H3,(H,17,18).
What are the key properties of methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate?
methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate is sourced from PubChem (CID 107441699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).