(E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine

C14H19NO — CID 142904320

IUPAC(E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine
SMILESCN/C=C(\C)c1ccc2c(c1)C(C)CCO2
InChIInChI=1S/C14H19NO/c1-10-6-7-16-14-5-4-12(8-13(10)14)11(2)9-15-3/h4-5,8-10,15H,6-7H2,1-3H3/b11-9+
InChIKeyWYTFAFAJORKDQN-PKNBQFBNSA-N
MW217.31 g/mol
LogP3.15
Rot. Bonds2

About (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine

(E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine (PubChem CID 142904320) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine
PubChem CID142904320
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine
SMILESCN/C=C(\C)c1ccc2c(c1)C(C)CCO2
InChIInChI=1S/C14H19NO/c1-10-6-7-16-14-5-4-12(8-13(10)14)11(2)9-15-3/h4-5,8-10,15H,6-7H2,1-3H3/b11-9+
InChIKeyWYTFAFAJORKDQN-PKNBQFBNSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride
CID 11074678
2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-6-yl]propan-1-one
CID 66805335
6-iodo-4-methyl-3,4-dihydro-2H-chromene
CID 10612333
2,2-dimethyl-1-[(4R)-4-methyl-3,4-dihydro-2H-chromen-7-yl]propan-1-one
CID 66805355
N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166058
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105477435
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylpent-3-en-1-amine
CID 79598163
methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 123908222
[(4R,5R)-4-bromo-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 67883904
methyl 3-[acetyl(amino)amino]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 54545731
azanium 6-fluoro-3-(4-methyl-3,4-dihydro-2H-chromen-6-yl)-1-benzothiophene-2-carboxylate
CID 168781015
(4-bromo-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-(2-fluorophenyl)methanone
CID 19774216

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine?
The IUPAC name of (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine (CID 142904320) is (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine is CN/C=C(\C)c1ccc2c(c1)C(C)CCO2.
What is the InChIKey of (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine?
The InChIKey is WYTFAFAJORKDQN-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-6-7-16-14-5-4-12(8-13(10)14)11(2)9-15-3/h4-5,8-10,15H,6-7H2,1-3H3/b11-9+.
What are the key properties of (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine?
(E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-(4-methyl-3,4-dihydro-2H-chromen-6-yl)prop-1-en-1-amine is sourced from PubChem (CID 142904320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).