N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine

C14H24FN3O2 — CID 145467624

IUPACN-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine
SMILESCOC(c1ccc(C(CCCN)NO)cc1)C(N)CF
InChIInChI=1S/C14H24FN3O2/c1-20-14(12(17)9-15)11-6-4-10(5-7-11)13(18-19)3-2-8-16/h4-7,12-14,18-19H,2-3,8-9,16-17H2,1H3
InChIKeyYEXZCVUAMXVVQL-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.43
Rot. Bonds9

About N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine

N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine (PubChem CID 145467624) has the molecular formula C14H24FN3O2 and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine
PubChem CID145467624
Molecular FormulaC14H24FN3O2
Molecular Weight285.36 g/mol
Exact Mass285.19
IUPAC NameN-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine
SMILESCOC(c1ccc(C(CCCN)NO)cc1)C(N)CF
InChIInChI=1S/C14H24FN3O2/c1-20-14(12(17)9-15)11-6-4-10(5-7-11)13(18-19)3-2-8-16/h4-7,12-14,18-19H,2-3,8-9,16-17H2,1H3
InChIKeyYEXZCVUAMXVVQL-UHFFFAOYSA-N
XLogP1.43
TPSA93.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]aniline
CID 134395559
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzenethiol
CID 145467283
(1R,2S)-3-fluoro-1-[4-(3-fluoropropylsulfanyl)phenyl]-1-methoxypropan-2-amine
CID 134395722
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
CID 134395435
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-cyclopropylbenzamide
CID 134395527
3-fluoro-1-[4-(3-fluoroazetidin-1-yl)phenyl]-1-methoxypropan-2-amine
CID 145467339
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
N-[[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]methyl]methanesulfonamide
CID 90088134
3-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 145467661
5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
CID 75104520
3-fluoro-1-methoxy-1-(4-piperazin-1-ylphenyl)propan-2-amine
CID 142457120
N-methyl-1-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 116949337

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine?
The IUPAC name of N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine (CID 145467624) is N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine.
What is the SMILES notation for N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine?
The canonical SMILES for N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine is COC(c1ccc(C(CCCN)NO)cc1)C(N)CF.
What is the InChIKey of N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine?
The InChIKey is YEXZCVUAMXVVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2/c1-20-14(12(17)9-15)11-6-4-10(5-7-11)13(18-19)3-2-8-16/h4-7,12-14,18-19H,2-3,8-9,16-17H2,1H3.
What are the key properties of N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine?
N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine has a molecular weight of 285.36 g/mol, XLogP of 1.43, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]butyl]hydroxylamine is sourced from PubChem (CID 145467624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).