[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate

C14H23N3O2 — CID 144618323

IUPAC[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(C(CCCN)NC)cc1
InChIInChI=1S/C14H23N3O2/c1-16-13(4-3-9-15)12-7-5-11(6-8-12)10-19-14(18)17-2/h5-8,13,16H,3-4,9-10,15H2,1-2H3,(H,17,18)
InChIKeyFYYBTSGKTPUZHM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds7

About [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate

[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate (PubChem CID 144618323) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
PubChem CID144618323
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(C(CCCN)NC)cc1
InChIInChI=1S/C14H23N3O2/c1-16-13(4-3-9-15)12-7-5-11(6-8-12)10-19-14(18)17-2/h5-8,13,16H,3-4,9-10,15H2,1-2H3,(H,17,18)
InChIKeyFYYBTSGKTPUZHM-UHFFFAOYSA-N
XLogP1.54
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(chloroamino)phenyl]methyl N-methylcarbamate
CID 139307114
N-methyl-1-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 116949337
methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium
CID 143747920
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
benzyl N-[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]carbamate;hydrochloride
CID 18636016
methyl 2-[4-(methylcarbamoyloxymethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175994947
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
2-aminoacetaldehyde;[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate;(Z)-N-[(1E,3E)-1-(1,6-dioxaspiro[2.5]octan-5-yl)-3,7-dimethylundeca-1,3-dien-6-yl]oxy-4-methylpent-2-enamide;formamide;formic acid;propane
CID 144618322
(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide
CID 141009341
furan-3-ylmethyl N-methylcarbamate
CID 57025329
[4-[[(2S)-5-(carbamoylamino)-2-methylpentanoyl]amino]phenyl]methyl N-methylcarbamate
CID 139354555

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
The IUPAC name of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate (CID 144618323) is [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
The canonical SMILES for [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate is CNC(=O)OCc1ccc(C(CCCN)NC)cc1.
What is the InChIKey of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
The InChIKey is FYYBTSGKTPUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-13(4-3-9-15)12-7-5-11(6-8-12)10-19-14(18)17-2/h5-8,13,16H,3-4,9-10,15H2,1-2H3,(H,17,18).
What are the key properties of [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate?
[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate has a molecular weight of 265.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 144618323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).