(1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine

C18H25NO — CID 10423337

IUPAC(1S,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOC1=CC=CC2=C1[C@@H]([C@@H](CC2)NCC3CC3)CC=C
InChIInChI=1S/C18H25NO/c1-3-5-15-16(19-12-13-8-9-13)11-10-14-6-4-7-17(20-2)18(14)15/h3-4,6-7,13,15-16,19H,1,5,8-12H2,2H3/t15-,16-/m1/s1
InChIKeyZDGCYKNKBKUIBF-HZPDHXFCSA-N
MW271.40 g/mol
LogP3.80
Rot. Bonds6

About (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine

(1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine (PubChem CID 10423337) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1S,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine
PubChem CID10423337
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1S,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOC1=CC=CC2=C1[C@@H]([C@@H](CC2)NCC3CC3)CC=C
InChIInChI=1S/C18H25NO/c1-3-5-15-16(19-12-13-8-9-13)11-10-14-6-4-7-17(20-2)18(14)15/h3-4,6-7,13,15-16,19H,1,5,8-12H2,2H3/t15-,16-/m1/s1
InChIKeyZDGCYKNKBKUIBF-HZPDHXFCSA-N
XLogP3.80
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity325

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine with MolForge

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Related Compounds

AJ 76
CID 122334
8-Methoxy-2-aminotetralin
CID 10197933
Ent-3-methoxymorphinan
CID 6603912
UH 232
CID 123696
2-Amino-5-methoxytetralin
CID 11469395
2-Acetamido-8-methoxytetralin
CID 3018920
(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 6604756
4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-aminoethyl]piperidine
CID 44598190
8-Methoxy-2-propionamidotetralin
CID 5170952
2-chloro-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 9859837
(3aR,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10105844
9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10332127

Frequently Asked Questions

What is the IUPAC name of (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine?
The IUPAC name of (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine (CID 10423337) is (1S,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine?
The canonical SMILES for (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine is COC1=CC=CC2=C1[C@@H]([C@@H](CC2)NCC3CC3)CC=C.
What is the InChIKey of (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine?
The InChIKey is ZDGCYKNKBKUIBF-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-5-15-16(19-12-13-8-9-13)11-10-14-6-4-7-17(20-2)18(14)15/h3-4,6-7,13,15-16,19H,1,5,8-12H2,2H3/t15-,16-/m1/s1.
What are the key properties of (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine?
(1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine has a molecular weight of 271.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-cyclopropylmethyl-amine is sourced from PubChem (CID 10423337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).