[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine

C17H20N2O — CID 116936978

IUPAC[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNCc1cccc(C(N)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H20N2O/c18-11-12-3-1-4-14(9-12)17(19)15-6-7-16-13(10-15)5-2-8-20-16/h1,3-4,6-7,9-10,17H,2,5,8,11,18-19H2
InChIKeySMJHUBNPYFDZQR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.52
Rot. Bonds3

About [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine

[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine (PubChem CID 116936978) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
PubChem CID116936978
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNCc1cccc(C(N)c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C17H20N2O/c18-11-12-3-1-4-14(9-12)17(19)15-6-7-16-13(10-15)5-2-8-20-16/h1,3-4,6-7,9-10,17H,2,5,8,11,18-19H2
InChIKeySMJHUBNPYFDZQR-UHFFFAOYSA-N
XLogP2.52
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
6-[bromo-(3-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444280
(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 62275925
6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
CID 63435145

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The IUPAC name of [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine (CID 116936978) is [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The canonical SMILES for [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine is NCc1cccc(C(N)c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The InChIKey is SMJHUBNPYFDZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-11-12-3-1-4-14(9-12)17(19)15-6-7-16-13(10-15)5-2-8-20-16/h1,3-4,6-7,9-10,17H,2,5,8,11,18-19H2.
What are the key properties of [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine?
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine is sourced from PubChem (CID 116936978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).