N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine

C22H21NO2 — CID 102402072

IUPACN-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc(C(ONC2CCOc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)25-23-20-15-16-24-21-14-8-7-13-19(20)21/h1-14,20,22-23H,15-16H2
InChIKeyJNVQDZCTTXPTEL-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.82
Rot. Bonds5

About N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine

N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102402072) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID102402072
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc(C(ONC2CCOc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)25-23-20-15-16-24-21-14-8-7-13-19(20)21/h1-14,20,22-23H,15-16H2
InChIKeyJNVQDZCTTXPTEL-UHFFFAOYSA-N
XLogP4.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
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-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43724272
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
3-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropanenitrile
CID 62779889
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
CID 156742889
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylpropanamide;hydrochloride
CID 119685133
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470

Frequently Asked Questions

What is the IUPAC name of N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine (CID 102402072) is N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine is c1ccc(C(ONC2CCOc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JNVQDZCTTXPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)25-23-20-15-16-24-21-14-8-7-13-19(20)21/h1-14,20,22-23H,15-16H2.
What are the key properties of N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine?
N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 331.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102402072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).