1,2,3,4-tetrahydrochrysen-4-ylmethanamine

C19H19N — CID 174766755

IUPAC1,2,3,4-tetrahydrochrysen-4-ylmethanamine
SMILESNCC1CCCc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C19H19N/c20-12-15-6-3-5-14-9-10-17-16-7-2-1-4-13(16)8-11-18(17)19(14)15/h1-2,4,7-11,15H,3,5-6,12,20H2
InChIKeyWSPYLUOOMNNWSQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.37
Rot. Bonds1

About 1,2,3,4-tetrahydrochrysen-4-ylmethanamine

1,2,3,4-tetrahydrochrysen-4-ylmethanamine (PubChem CID 174766755) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrochrysen-4-ylmethanamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydrochrysen-4-ylmethanamine
PubChem CID174766755
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1,2,3,4-tetrahydrochrysen-4-ylmethanamine
SMILESNCC1CCCc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C19H19N/c20-12-15-6-3-5-14-9-10-17-16-7-2-1-4-13(16)8-11-18(17)19(14)15/h1-2,4,7-11,15H,3,5-6,12,20H2
InChIKeyWSPYLUOOMNNWSQ-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Dehydroabietylamine
CID 62034
Abieta-8,11,13-trien-18-amine
CID 106831
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 118215
Desmethylmaprotiline
CID 119409
Trans-1,2-DI(2-naphthyl)ethylene
CID 1550704
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
alpha-Methyl-2-naphthaleneethanamine
CID 10219723
9-Aminomethyl-9,10-dihydroanthracene
CID 10398175
n-Methyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 53319832
N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine
CID 14950933
1-Naphthaleneethanamine
CID 20853

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrochrysen-4-ylmethanamine?
The IUPAC name of 1,2,3,4-tetrahydrochrysen-4-ylmethanamine (CID 174766755) is 1,2,3,4-tetrahydrochrysen-4-ylmethanamine.
What is the SMILES notation for 1,2,3,4-tetrahydrochrysen-4-ylmethanamine?
The canonical SMILES for 1,2,3,4-tetrahydrochrysen-4-ylmethanamine is NCC1CCCc2ccc3c(ccc4ccccc43)c21.
What is the InChIKey of 1,2,3,4-tetrahydrochrysen-4-ylmethanamine?
The InChIKey is WSPYLUOOMNNWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c20-12-15-6-3-5-14-9-10-17-16-7-2-1-4-13(16)8-11-18(17)19(14)15/h1-2,4,7-11,15H,3,5-6,12,20H2.
What are the key properties of 1,2,3,4-tetrahydrochrysen-4-ylmethanamine?
1,2,3,4-tetrahydrochrysen-4-ylmethanamine has a molecular weight of 261.37 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrochrysen-4-ylmethanamine is sourced from PubChem (CID 174766755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).