N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline

C19H23NO — CID 104768252

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C19H23NO/c1-14(2)15-6-5-7-17(12-15)20-13-16-10-11-21-19-9-4-3-8-18(16)19/h3-9,12,14,16,20H,10-11,13H2,1-2H3
InChIKeyDNTQMHOFRXVGHX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.79
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline (PubChem CID 104768252) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
PubChem CID104768252
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C19H23NO/c1-14(2)15-6-5-7-17(12-15)20-13-16-10-11-21-19-9-4-3-8-18(16)19/h3-9,12,14,16,20H,10-11,13H2,1-2H3
InChIKeyDNTQMHOFRXVGHX-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
CID 79226180
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115756563
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
N-[[(4R)-7-(N-methyl-4-propan-2-ylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
CID 167473837
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-[3-[3-(3,4-dihydro-2H-chromen-4-ylmethylamino)butyl]phenyl]methanesulfonamide
CID 54075118
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline
CID 166216140
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline (CID 104768252) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline is CC(C)c1cccc(NCC2CCOc3ccccc32)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline?
The InChIKey is DNTQMHOFRXVGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)15-6-5-7-17(12-15)20-13-16-10-11-21-19-9-4-3-8-18(16)19/h3-9,12,14,16,20H,10-11,13H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline has a molecular weight of 281.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline is sourced from PubChem (CID 104768252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).