N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C19H23NO — CID 43221295

IUPACN-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc(CNC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-14(2)16-9-7-15(8-10-16)13-20-18-11-12-21-19-6-4-3-5-17(18)19/h3-10,14,18,20H,11-13H2,1-2H3
InChIKeyWTSWSBAKVDGNJM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.42
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43221295) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43221295
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc(CNC2CCOc3ccccc32)cc1
InChIInChI=1S/C19H23NO/c1-14(2)16-9-7-15(8-10-16)13-20-18-11-12-21-19-6-4-3-5-17(18)19/h3-10,14,18,20H,11-13H2,1-2H3
InChIKeyWTSWSBAKVDGNJM-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 51104764

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43221295) is N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is CC(C)c1ccc(CNC2CCOc3ccccc32)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WTSWSBAKVDGNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)16-9-7-15(8-10-16)13-20-18-11-12-21-19-6-4-3-5-17(18)19/h3-10,14,18,20H,11-13H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43221295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).