(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine

C16H19NO — CID 141011121

IUPAC(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine
SMILESCOC1CCC(CN)c2c1ccc1ccccc21
InChIInChI=1S/C16H19NO/c1-18-15-9-7-12(10-17)16-13-5-3-2-4-11(13)6-8-14(15)16/h2-6,8,12,15H,7,9-10,17H2,1H3
InChIKeyCWIGWMKBIUHJNH-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.36
Rot. Bonds2

About (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine

(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine (PubChem CID 141011121) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine.

Molecular Properties

Compound Name(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine
PubChem CID141011121
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine
SMILESCOC1CCC(CN)c2c1ccc1ccccc21
InChIInChI=1S/C16H19NO/c1-18-15-9-7-12(10-17)16-13-5-3-2-4-11(13)6-8-14(15)16/h2-6,8,12,15H,7,9-10,17H2,1H3
InChIKeyCWIGWMKBIUHJNH-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetate
CID 141011131
(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine
CID 135045429
(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 139122410
1,2,3,4-tetrahydrochrysen-4-ylmethanamine
CID 174766755
1-cyclopropylnaphthalen-2-amine
CID 170561306
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
phenanthrene;sulfane
CID 159172584
9-methoxy-11-phenyl-11H-benzo[a]fluorene
CID 121348426
(4S)-10-methoxy-3,4-dihydro-2H-benzo[g]chromen-4-amine;hydrochloride
CID 171252130
1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine?
The IUPAC name of (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine (CID 141011121) is (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine.
What is the SMILES notation for (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine?
The canonical SMILES for (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine is COC1CCC(CN)c2c1ccc1ccccc21.
What is the InChIKey of (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine?
The InChIKey is CWIGWMKBIUHJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-15-9-7-12(10-17)16-13-5-3-2-4-11(13)6-8-14(15)16/h2-6,8,12,15H,7,9-10,17H2,1H3.
What are the key properties of (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine?
(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine is sourced from PubChem (CID 141011121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).