(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine

C14H15NO — CID 14924019

IUPAC(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
SMILESCOc1ccc2c3c(ccc2c1)C(CN)C3
InChIInChI=1S/C14H15NO/c1-16-11-3-5-12-9(6-11)2-4-13-10(8-15)7-14(12)13/h2-6,10H,7-8,15H2,1H3
InChIKeyGSDMEAYBVPADPH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds2

About (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine

(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine (PubChem CID 14924019) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
PubChem CID14924019
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
SMILESCOc1ccc2c3c(ccc2c1)C(CN)C3
InChIInChI=1S/C14H15NO/c1-16-11-3-5-12-9(6-11)2-4-13-10(8-15)7-14(12)13/h2-6,10H,7-8,15H2,1H3
InChIKeyGSDMEAYBVPADPH-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one
CID 57376665
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
(13R,14S)-13-ethyl-3-methoxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
CID 22295889
(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene
CID 95564593
(13S)-3-methoxy-11,12,13,17-tetrahydrocyclopenta[a]phenanthren-16-one
CID 98511136
(7-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84626254
8-methoxy-12a-methyl-2,3,4,4a,11,12-hexahydrochrysen-1-one
CID 626328
(13S,17S)-17-hydroxy-3-methoxy-13-methyl-11,12,16,17-tetrahydrocyclopenta[a]phenanthrene-15-carboxylic acid
CID 101287778
(5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620615

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine?
The IUPAC name of (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine (CID 14924019) is (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine.
What is the SMILES notation for (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine?
The canonical SMILES for (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine is COc1ccc2c3c(ccc2c1)C(CN)C3.
What is the InChIKey of (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine?
The InChIKey is GSDMEAYBVPADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-16-11-3-5-12-9(6-11)2-4-13-10(8-15)7-14(12)13/h2-6,10H,7-8,15H2,1H3.
What are the key properties of (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine?
(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine has a molecular weight of 213.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine is sourced from PubChem (CID 14924019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).