N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine

C12H16N2O — CID 57189109

IUPACN-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine
SMILESC1=C(NOCc2ccccc2)CCNC1
InChIInChI=1S/C12H16N2O/c1-2-4-11(5-3-1)10-15-14-12-6-8-13-9-7-12/h1-6,13-14H,7-10H2
InChIKeyCZBDXVNSASQPCS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.59
Rot. Bonds4

About N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine

N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 57189109) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID57189109
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine
SMILESC1=C(NOCc2ccccc2)CCNC1
InChIInChI=1S/C12H16N2O/c1-2-4-11(5-3-1)10-15-14-12-6-8-13-9-7-12/h1-6,13-14H,7-10H2
InChIKeyCZBDXVNSASQPCS-UHFFFAOYSA-N
XLogP1.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(Phenylmethoxy)-1,5-pentanediamine
CID 11117275
N-allyl-O-benzylhydroxylamine
CID 14227185
N-benzyloxy-N-(1-ethylpropyl)amine
CID 15366668
(2-Aminoethyl)(benzyloxy)amine
CID 20401293
3-Fluoro-2,4-bis(phenylmethoxyamino)but-1-en-1-one
CID 87958758
N-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,6-tetrahydropyridin-4-amine
CID 90942447
2-Fluoro-5-[(1,2,3,6-tetrahydropyridin-4-ylamino)oxymethyl]benzonitrile
CID 91322881
N'-phenylmethoxypropane-1,3-diamine
CID 13417365
N1-(Phenylmethoxy)-1,4-butanediamine
CID 13846777
N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
CID 134925778
N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine
CID 134926495
4-methyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-1-en-2-amine
CID 134926496

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine (CID 57189109) is N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine is C1=C(NOCc2ccccc2)CCNC1.
What is the InChIKey of N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is CZBDXVNSASQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-4-11(5-3-1)10-15-14-12-6-8-13-9-7-12/h1-6,13-14H,7-10H2.
What are the key properties of N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine?
N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 204.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 57189109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).